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annotate macros.xml @ 0:3de1359b86cc draft default tip

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
author chemteam
date Thu, 27 Jan 2022 17:17:54 +0000
parents
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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0
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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diff changeset
1 <macros>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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2 <token name="@TOOL_VERSION@">21.10</token>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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3 <xml name="requirements">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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4 <requirements>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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5 <requirement type="package" version="@TOOL_VERSION@">ambertools</requirement>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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6 <yield/>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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7 </requirements>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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8 </xml>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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9 <xml name="builtin_amberfiles">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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10 <param name="arg_filename" type="select" label="File">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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11 <option value="epASN.prepin">epASN.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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12 <option value="epACE.prepin">epACE.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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13 <option value="GLYCAM_06j-1.prep">GLYCAM_06j-1.prep</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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14 <option value="toyrna.in">toyrna.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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15 <option value="epTRP.prepin">epTRP.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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16 <option value="epSER.prepin">epSER.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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17 <option value="epALA.prepin">epALA.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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18 <option value="epASP.prepin">epASP.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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19 <option value="amino12.in">amino12.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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20 <option value="amino10.in">amino10.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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21 <option value="epPHE.prepin">epPHE.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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22 <option value="uni_amino03.in">uni_amino03.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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23 <option value="aminoct12.in">aminoct12.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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24 <option value="epTHR.prepin">epTHR.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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25 <option value="uni_aminoct03.in">uni_aminoct03.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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26 <option value="epNME.prepin">epNME.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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27 <option value="chcl3.in">chcl3.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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28 <option value="all_aminont03.in">all_aminont03.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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29 <option value="epTYR.prepin">epTYR.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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30 <option value="epVAL.prepin">epVAL.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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31 <option value="epGLU.prepin">epGLU.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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32 <option value="meoh.in">meoh.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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33 <option value="all_aminoct03.in">all_aminoct03.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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34 <option value="epHID.prepin">epHID.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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35 <option value="all_amino03.in">all_amino03.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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36 <option value="aminont10.in">aminont10.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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37 <option value="epLEU.prepin">epLEU.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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38 <option value="GLYCAM_lipids_06h.prep">GLYCAM_lipids_06h.prep</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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39 <option value="GLYCAM_06EPb.prep">GLYCAM_06EPb.prep</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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40 <option value="epILE.prepin">epILE.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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41 <option value="epHIE.prepin">epHIE.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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42 <option value="aminoct10.in">aminoct10.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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43 <option value="epCYS.prepin">epCYS.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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44 <option value="epGLN.prepin">epGLN.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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45 <option value="epLYS.prepin">epLYS.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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46 <option value="epARG.prepin">epARG.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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47 <option value="epGLY.prepin">epGLY.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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48 <option value="nma.in">nma.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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49 <option value="uni_aminont03.in">uni_aminont03.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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50 <option value="nucleic10.in">nucleic10.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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51 <option value="epMET.prepin">epMET.prepin</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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52 <option value="dna_nuc94-bsc0_chiOl4-ezOL1.in">dna_nuc94-bsc0_chiOl4-ezOL1.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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53 <option value="aminont12.in">aminont12.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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54 <option value="protonated_nucleic/RGE_noP.pdb">protonated_nucleic/RGE_noP.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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55 <option value="protonated_nucleic/DA+_noP.pdb">protonated_nucleic/DA+_noP.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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56 <option value="protonated_nucleic/DC+.pdb">protonated_nucleic/DC+.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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57 <option value="protonated_nucleic/RC+_noP.pdb">protonated_nucleic/RC+_noP.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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58 <option value="protonated_nucleic/DC+_noP.pdb">protonated_nucleic/DC+_noP.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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59 <option value="protonated_nucleic/RC+.pdb">protonated_nucleic/RC+.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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60 <option value="protonated_nucleic/RGE.pdb">protonated_nucleic/RGE.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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61 <option value="protonated_nucleic/DTE_noP.pdb">protonated_nucleic/DTE_noP.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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62 <option value="protonated_nucleic/DGE_noP.pdb">protonated_nucleic/DGE_noP.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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63 <option value="protonated_nucleic/RG-.pdb">protonated_nucleic/RG-.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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64 <option value="protonated_nucleic/RU-_noP.pdb">protonated_nucleic/RU-_noP.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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65 <option value="protonated_nucleic/DT-_noP.pdb">protonated_nucleic/DT-_noP.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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66 <option value="protonated_nucleic/RA+_noP.pdb">protonated_nucleic/RA+_noP.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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67 <option value="protonated_nucleic/DA+.pdb">protonated_nucleic/DA+.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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68 <option value="protonated_nucleic/RUE_noP.pdb">protonated_nucleic/RUE_noP.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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69 <option value="protonated_nucleic/DTE.pdb">protonated_nucleic/DTE.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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70 <option value="protonated_nucleic/DT-.pdb">protonated_nucleic/DT-.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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71 <option value="protonated_nucleic/DG-.pdb">protonated_nucleic/DG-.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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72 <option value="protonated_nucleic/RG-_noP.pdb">protonated_nucleic/RG-_noP.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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73 <option value="protonated_nucleic/DG-_noP.pdb">protonated_nucleic/DG-_noP.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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74 <option value="protonated_nucleic/DGE.pdb">protonated_nucleic/DGE.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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75 <option value="protonated_nucleic/RU-.pdb">protonated_nucleic/RU-.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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76 <option value="protonated_nucleic/RA+.pdb">protonated_nucleic/RA+.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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77 <option value="protonated_nucleic/RUE.pdb">protonated_nucleic/RUE.pdb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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78 <option value="oldff/all_amino02.r1.in">oldff/all_amino02.r1.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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79 <option value="oldff/all.in">oldff/all.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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80 <option value="oldff/all_amino02.in">oldff/all_amino02.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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81 <option value="oldff/opls_unict.in">oldff/opls_unict.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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82 <option value="oldff/unint.in">oldff/unint.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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83 <option value="oldff/all_aminoct94.in">oldff/all_aminoct94.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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84 <option value="oldff/protein.amberua.in">oldff/protein.amberua.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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85 <option value="oldff/protein.amberua.N.in">oldff/protein.amberua.N.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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86 <option value="oldff/all_amino02EP.in">oldff/all_amino02EP.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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87 <option value="oldff/all_aminont02EP.in">oldff/all_aminont02EP.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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88 <option value="oldff/GLYCAM_06j.prep">oldff/GLYCAM_06j.prep</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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89 <option value="oldff/opls_uni.in">oldff/opls_uni.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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90 <option value="oldff/protein.amberua.C.in">oldff/protein.amberua.C.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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91 <option value="oldff/all_nuc02.in">oldff/all_nuc02.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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92 <option value="oldff/all_nuc94.in">oldff/all_nuc94.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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93 <option value="oldff/all_amino94.in">oldff/all_amino94.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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94 <option value="oldff/GLYCAM_06h.prep">oldff/GLYCAM_06h.prep</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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95 <option value="oldff/opls_nacl.in">oldff/opls_nacl.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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96 <option value="oldff/all_aminont94.in">oldff/all_aminont94.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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97 <option value="oldff/allnt.in">oldff/allnt.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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98 <option value="oldff/all_aminoct02EP.in">oldff/all_aminoct02EP.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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99 <option value="oldff/all_aminoct02.in">oldff/all_aminoct02.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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100 <option value="oldff/unict.in">oldff/unict.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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101 <option value="oldff/allct.in">oldff/allct.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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102 <option value="oldff/all_nuc02EP.in">oldff/all_nuc02EP.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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103 <option value="oldff/opls_unint.in">oldff/opls_unint.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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104 <option value="oldff/all_aminont02.in">oldff/all_aminont02.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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105 <option value="oldff/na.amberua.in">oldff/na.amberua.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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106 <option value="oldff/uni.in">oldff/uni.in</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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107 <option value="nucleic12.redq.lib">nucleic12.redq.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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108 <option value="all_aminontfb15.lib">all_aminontfb15.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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109 <option value="ff03ua.cmd">ff03ua.cmd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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110 <option value="ff94.log">ff94.log</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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111 <option value="amino19ipq_0.9_vac.lib">amino19ipq_0.9_vac.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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112 <option value="fb4box.off">fb4box.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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113 <option value="aminont10.lib">aminont10.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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114 <option value="all_aminont03.lib">all_aminont03.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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115 <option value="tip4pbox.off">tip4pbox.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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116 <option value="atomic_ions.cmd">atomic_ions.cmd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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117 <option value="8Mureabox.off">8Mureabox.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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118 <option value="parmBSC1.lib">parmBSC1.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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119 <option value="GLYCAM_amino_06j_12SB.lib">GLYCAM_amino_06j_12SB.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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120 <option value="all_aminofb15.lib">all_aminofb15.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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121 <option value="amino14ipq.lib">amino14ipq.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
122 <option value="ff03.log">ff03.log</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
123 <option value="aminoct19ipq_0.9.lib">aminoct19ipq_0.9.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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124 <option value="aminont19ipq_0.9_pol.lib">aminont19ipq_0.9_pol.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
125 <option value="all_aminont94.lib">all_aminont94.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
126 <option value="DNA_CI.lib">DNA_CI.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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127 <option value="all_nucleic94.lib">all_nucleic94.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
128 <option value="GLYCAM_aminont_06j_12SB.lib">GLYCAM_aminont_06j_12SB.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
129 <option value="atomic_ions.log">atomic_ions.log</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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130 <option value="amino19ipq_0.9_pol.lib">amino19ipq_0.9_pol.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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131 <option value="amino19ipq_0.9.lib">amino19ipq_0.9.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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132 <option value="phos_amino94.lib">phos_amino94.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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133 <option value="tip4pewbox.off">tip4pewbox.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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134 <option value="tip4pd.off">tip4pd.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
135 <option value="mod_amino.lib">mod_amino.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
136 <option value="conste.lib">conste.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
137 <option value="nucleic10.lib">nucleic10.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
138 <option value="chcl3box.off">chcl3box.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
139 <option value="aminont12.redq.lib">aminont12.redq.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
140 <option value="all_aminoct94.lib">all_aminoct94.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
141 <option value="amino15ipq-vac_10.0.lib">amino15ipq-vac_10.0.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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142 <option value="residues.RNA.parmCHI_YIL.bsc.lib">residues.RNA.parmCHI_YIL.bsc.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
143 <option value="tip3pbox.off">tip3pbox.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
144 <option value="solvents.lib">solvents.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
145 <option value="aminoct12.redq.lib">aminoct12.redq.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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146 <option value="tip3pfbox.off">tip3pfbox.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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147 <option value="DNA.OL15.lib">DNA.OL15.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
148 <option value="ff10.cmd">ff10.cmd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
149 <option value="aminoct12.lib">aminoct12.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
150 <option value="aminoct19ipq_0.9_pol.lib">aminoct19ipq_0.9_pol.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
151 <option value="tip5pbox.off">tip5pbox.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
152 <option value="all_amino03.lib">all_amino03.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
153 <option value="atomic_ions.lib">atomic_ions.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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154 <option value="8Murea.readme">8Murea.readme</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
155 <option value="ff03ua.log">ff03ua.log</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
156 <option value="all_amino94.lib">all_amino94.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
157 <option value="uni_aminont03.lib">uni_aminont03.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
158 <option value="nucleic12.LJbb-RNA.lib">nucleic12.LJbb-RNA.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
159 <option value="nmabox.off">nmabox.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
160 <option value="RNA.YIL.lib">RNA.YIL.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
161 <option value="xFPchromophores.lib">xFPchromophores.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
162 <option value="ff94.cmd">ff94.cmd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
163 <option value="nab.lib">nab.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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164 <option value="terminalphos.LJbb-RNA.lib">terminalphos.LJbb-RNA.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
165 <option value="opcbox.off">opcbox.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
166 <option value="ff03.cmd">ff03.cmd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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167 <option value="music.lib">music.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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168 <option value="all_prot_nucleic10.lib">all_prot_nucleic10.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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169 <option value="aminoct19ipq_0.9_vac.lib">aminoct19ipq_0.9_vac.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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170 <option value="all_aminoAM1.lib">all_aminoAM1.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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171 <option value="all_amino94ildn.lib">all_amino94ildn.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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172 <option value="ions94.lib">ions94.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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173 <option value="all_aminoct03.lib">all_aminoct03.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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174 <option value="RNA.lib">RNA.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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175 <option value="spcebox.off">spcebox.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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176 <option value="aminont19ipq_0.9_vac.lib">aminont19ipq_0.9_vac.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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177 <option value="nucleic12.lib">nucleic12.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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178 <option value="lipid17.lib">lipid17.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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179 <option value="terminal_monophosphate.lib">terminal_monophosphate.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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180 <option value="all_prot_nucleic10.log">all_prot_nucleic10.log</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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181 <option value="ions94.cmd">ions94.cmd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
182 <option value="aminont15ipq_10.0.lib">aminont15ipq_10.0.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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183 <option value="aminocn15ipq_10.0.lib">aminocn15ipq_10.0.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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184 <option value="mk_nablib.cmd">mk_nablib.cmd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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185 <option value="all_modrna08.lib">all_modrna08.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
186 <option value="aminont12.lib">aminont12.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
187 <option value="pol3box.off">pol3box.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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188 <option value="ff15ipq-m.lib">ff15ipq-m.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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189 <option value="phmd.lib">phmd.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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190 <option value="RNA_CI.lib">RNA_CI.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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191 <option value="solvents.log">solvents.log</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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192 <option value="GLYCAM_aminoct_06j_12SB.lib">GLYCAM_aminoct_06j_12SB.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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193 <option value="amberdyes.lib">amberdyes.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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194 <option value="uni_aminoct03.lib">uni_aminoct03.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
195 <option value="phosaa14SB.lib">phosaa14SB.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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196 <option value="all_aminoPM3.lib">all_aminoPM3.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
197 <option value="meohbox.off">meohbox.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
198 <option value="amino19.lib">amino19.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
199 <option value="fb3box.off">fb3box.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
200 <option value="ff12SB.log">ff12SB.log</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
201 <option value="Makefile">Makefile</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
202 <option value="aminont14ipq.lib">aminont14ipq.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
203 <option value="aminoct10.lib">aminoct10.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
204 <option value="RNA_Shaw.lib">RNA_Shaw.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
205 <option value="mk_nablib.log">mk_nablib.log</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
206 <option value="ff10.log">ff10.log</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
207 <option value="constph.lib">constph.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
208 <option value="all_nucleic94.nmr.lib">all_nucleic94.nmr.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
209 <option value="mod_amino19.lib">mod_amino19.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
210 <option value="ions94.log">ions94.log</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
211 <option value="aminoct15ipq_10.0.lib">aminoct15ipq_10.0.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
212 <option value="ff12SB.cmd">ff12SB.cmd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
213 <option value="nucleic12.ROC-RNA.lib">nucleic12.ROC-RNA.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
214 <option value="lipid14.lib">lipid14.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
215 <option value="amino10.lib">amino10.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
216 <option value="amino15ipq_10.0.lib">amino15ipq_10.0.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
217 <option value="all_aminont94ildn.lib">all_aminont94ildn.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
218 <option value="all_aminoctfb15.lib">all_aminoctfb15.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
219 <option value="parmBSC0.lib">parmBSC0.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
220 <option value="solvents.cmd">solvents.cmd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
221 <option value="spcfwbox.off">spcfwbox.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
222 <option value="cph_nucleic_caps.lib">cph_nucleic_caps.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
223 <option value="opc3box.off">opc3box.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
224 <option value="amino12.redq.lib">amino12.redq.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
225 <option value="aminont15ipq-vac_10.0.lib">aminont15ipq-vac_10.0.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
226 <option value="all_prot_nucleic10.cmd">all_prot_nucleic10.cmd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
227 <option value="phosaa19SB.lib">phosaa19SB.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
228 <option value="qspcfwbox.off">qspcfwbox.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
229 <option value="uni_amino03.lib">uni_amino03.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
230 <option value="all_amino94.nmr.lib">all_amino94.nmr.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
231 <option value="aminoct14ipq.lib">aminoct14ipq.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
232 <option value="aminont19ipq_0.9.lib">aminont19ipq_0.9.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
233 <option value="aminoct15ipq-vac_10.0.lib">aminoct15ipq-vac_10.0.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
234 <option value="all_aminoct94ildn.lib">all_aminoct94ildn.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
235 <option value="amino12.lib">amino12.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
236 <option value="oldff/ff02.log">oldff/ff02.log</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
237 <option value="oldff/phosphoaa10.lib">oldff/phosphoaa10.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
238 <option value="oldff/all_nucleic91.lib">oldff/all_nucleic91.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
239 <option value="oldff/all_aminoct02.lib">oldff/all_aminoct02.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
240 <option value="oldff/ff02.cmd">oldff/ff02.cmd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
241 <option value="oldff/all_nucleic02EP.lib">oldff/all_nucleic02EP.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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242 <option value="oldff/ions91.lib">oldff/ions91.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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243 <option value="oldff/dna.amberua.lib">oldff/dna.amberua.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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244 <option value="oldff/all_aminoct91.lib">oldff/all_aminoct91.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
245 <option value="oldff/all_aminoct02EP.lib">oldff/all_aminoct02EP.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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246 <option value="oldff/all_aminont91.lib">oldff/all_aminont91.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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247 <option value="oldff/all_nucleic02.lib">oldff/all_nucleic02.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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248 <option value="oldff/protein.amberua.lib">oldff/protein.amberua.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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249 <option value="oldff/ions91.cmd">oldff/ions91.cmd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
250 <option value="oldff/GLYCAM_aminoct_06j_10.lib">oldff/GLYCAM_aminoct_06j_10.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
251 <option value="oldff/rna.amberua.lib">oldff/rna.amberua.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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252 <option value="oldff/all_amino02.r1.lib">oldff/all_amino02.r1.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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253 <option value="oldff/ff02EP.log">oldff/ff02EP.log</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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254 <option value="oldff/pro-dna91.nmr.off">oldff/pro-dna91.nmr.off</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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255 <option value="oldff/phosphoaa10.readme">oldff/phosphoaa10.readme</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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256 <option value="oldff/ff91.log">oldff/ff91.log</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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257 <option value="oldff/all_aminont2011pol.lib">oldff/all_aminont2011pol.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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258 <option value="oldff/ff02EP.cmd">oldff/ff02EP.cmd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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259 <option value="oldff/all_aminont02.lib">oldff/all_aminont02.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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260 <option value="oldff/all_amino2011pol.lib">oldff/all_amino2011pol.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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261 <option value="oldff/ff91.cmd">oldff/ff91.cmd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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262 <option value="oldff/all_amino91.lib">oldff/all_amino91.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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263 <option value="oldff/GLYCAM_aminont_06j_10.lib">oldff/GLYCAM_aminont_06j_10.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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264 <option value="oldff/lipid11.lib">oldff/lipid11.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
265 <option value="oldff/all_amino02.lib">oldff/all_amino02.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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266 <option value="oldff/all_aminoct2011pol.lib">oldff/all_aminoct2011pol.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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267 <option value="oldff/all_aminont02EP.lib">oldff/all_aminont02EP.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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268 <option value="oldff/GLYCAM_amino_06j_10.lib">oldff/GLYCAM_amino_06j_10.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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269 <option value="oldff/all_amino02EP.lib">oldff/all_amino02EP.lib</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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270 <option value="validate_torsions.py">validate_torsions.py</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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271 <option value="frcmod.spcfw">frcmod.spcfw</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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272 <option value="frcmod.ff99SP">frcmod.ff99SP</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
273 <option value="frcmod.tip4pfb">frcmod.tip4pfb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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274 <option value="frcmod.ROC-RNA">frcmod.ROC-RNA</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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275 <option value="frcmod.constph">frcmod.constph</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
276 <option value="frcmod.ionsjc_spce">frcmod.ionsjc_spce</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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277 <option value="frcmod.ions234lm_hfe_tip4pew">frcmod.ions234lm_hfe_tip4pew</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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278 <option value="frcmod.shaw">frcmod.shaw</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
279 <option value="frcmod.nma">frcmod.nma</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
280 <option value="frcmod.ions1lm_iod">frcmod.ions1lm_iod</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
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281 <option value="parm91X.ua.dat">parm91X.ua.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
282 <option value="frcmod.ionsjc_tip3p">frcmod.ionsjc_tip3p</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
283 <option value="frcmod.ions234lm_iod_tip3p">frcmod.ions234lm_iod_tip3p</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
284 <option value="frcmod.ff12SB">frcmod.ff12SB</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
285 <option value="frcmod.conste">frcmod.conste</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
286 <option value="lj_1264_pol.dat">lj_1264_pol.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
287 <option value="frcmod.ions234lm_126_tip4pew">frcmod.ions234lm_126_tip4pew</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
288 <option value="frcmod.fb15">frcmod.fb15</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
289 <option value="frcmod.ionslm_126_fb3">frcmod.ionslm_126_fb3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
290 <option value="frcmod.phosaa19SB">frcmod.phosaa19SB</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
291 <option value="frcmod.ff02pol.r1">frcmod.ff02pol.r1</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
292 <option value="frcmod.ions1lm_1264_tip4pew">frcmod.ions1lm_1264_tip4pew</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
293 <option value="frcmod.ff99SB">frcmod.ff99SB</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
294 <option value="frcmod.tip3pfb">frcmod.tip3pfb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
295 <option value="frcmod.tip3p">frcmod.tip3p</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
296 <option value="frcmod.meoh">frcmod.meoh</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
297 <option value="GLYCAM_06EPb.dat">GLYCAM_06EPb.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
298 <option value="nucgen.dat">nucgen.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
299 <option value="frcmod.tip3pf">frcmod.tip3pf</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
300 <option value="frcmod.opc">frcmod.opc</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
301 <option value="frcmod.ff19SB_XXX">frcmod.ff19SB_XXX</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
302 <option value="frcmod.tip4pew">frcmod.tip4pew</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
303 <option value="frcmod.ff99SB14">frcmod.ff99SB14</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
304 <option value="frcmod.pol3">frcmod.pol3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
305 <option value="frcmod.ff19SB">frcmod.ff19SB</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
306 <option value="frcmod.ions234lm_hfe_spce">frcmod.ions234lm_hfe_spce</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
307 <option value="frcmod.ionslm_iod_fb3">frcmod.ionslm_iod_fb3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
308 <option value="toyrna.dat">toyrna.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
309 <option value="frcmod.parmbsc0">frcmod.parmbsc0</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
310 <option value="frcmod.ff14SB">frcmod.ff14SB</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
311 <option value="frcmod.tip4pd">frcmod.tip4pd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
312 <option value="frcmod.ff03ua">frcmod.ff03ua</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
313 <option value="frcmod.ionslm_hfe_opc3">frcmod.ionslm_hfe_opc3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
314 <option value="opls_parm.dat">opls_parm.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
315 <option value="frcmod.ionslm_hfe_fb3">frcmod.ionslm_hfe_fb3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
316 <option value="frcmod.ff99SBnmr">frcmod.ff99SBnmr</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
317 <option value="frcmod.ions1lm_1264_tip3p">frcmod.ions1lm_1264_tip3p</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
318 <option value="frcmod.opc3">frcmod.opc3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
319 <option value="frcmod.urea">frcmod.urea</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
320 <option value="frcmod.phosaa10">frcmod.phosaa10</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
321 <option value="parmAM1.dat">parmAM1.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
322 <option value="frcmod.ROC-RNA_const">frcmod.ROC-RNA_const</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
323 <option value="frcmod.ionslm_hfe_opc">frcmod.ionslm_hfe_opc</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
324 <option value="frcmod.parmbsc1">frcmod.parmbsc1</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
325 <option value="parm91.dat">parm91.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
326 <option value="frcmod.tip5p">frcmod.tip5p</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
327 <option value="frcmod.ionslm_126_opc">frcmod.ionslm_126_opc</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
328 <option value="parm10.dat">parm10.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
329 <option value="parm19ipq.dat">parm19ipq.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
330 <option value="amberdyes.dat">amberdyes.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
331 <option value="lipid17.dat">lipid17.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
332 <option value="frcmod.ionslm_iod_opc3">frcmod.ionslm_iod_opc3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
333 <option value="frcmod.ions234lm_1264_tip4pew">frcmod.ions234lm_1264_tip4pew</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
334 <option value="frcmod.chcl3">frcmod.chcl3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
335 <option value="frcmod.parmCHI_YIL">frcmod.parmCHI_YIL</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
336 <option value="frcmod.ionslm_1264_fb3">frcmod.ionslm_1264_fb3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
337 <option value="frcmod.ions1lm_126_spce">frcmod.ions1lm_126_spce</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
338 <option value="GLYCAM_06j.dat">GLYCAM_06j.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
339 <option value="frcmod.ff15ipq-m">frcmod.ff15ipq-m</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
340 <option value="parm99EP.dat">parm99EP.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
341 <option value="parm94.dat">parm94.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
342 <option value="parm98.dat">parm98.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
343 <option value="frcmod.dc4">frcmod.dc4</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
344 <option value="frcmod.spce">frcmod.spce</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
345 <option value="frcmod.phosaa14SB">frcmod.phosaa14SB</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
346 <option value="music.dat">music.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
347 <option value="parm15ipq_10.3.dat">parm15ipq_10.3.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
348 <option value="frcmod.ions234lm_126_spce">frcmod.ions234lm_126_spce</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
349 <option value="frcmod.ions_charmm22">frcmod.ions_charmm22</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
350 <option value="frcmod.spceb">frcmod.spceb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
351 <option value="frcmod.ionslm_iod_fb4">frcmod.ionslm_iod_fb4</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
352 <option value="frcmod.ionslm_126_fb4">frcmod.ionslm_126_fb4</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
353 <option value="frcmod.chiOL4">frcmod.chiOL4</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
354 <option value="gaff.dat">gaff.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
355 <option value="lipid11.dat">lipid11.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
356 <option value="all_modrna08.frcmod">all_modrna08.frcmod</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
357 <option value="frcmod.ions1lm_1264_spce">frcmod.ions1lm_1264_spce</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
358 <option value="frcmod.ions234lm_1264_tip3p">frcmod.ions234lm_1264_tip3p</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
359 <option value="frcmod.ff99SBildn">frcmod.ff99SBildn</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
360 <option value="frcmod.ions1lm_126_tip3p">frcmod.ions1lm_126_tip3p</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
361 <option value="frcmod.ff14SBmodAA">frcmod.ff14SBmodAA</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
362 <option value="parm14ipq.dat">parm14ipq.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
363 <option value="gaff2.dat">gaff2.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
364 <option value="frcmod.ions234lm_1264_spce">frcmod.ions234lm_1264_spce</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
365 <option value="frcmod.ionslm_1264_fb4">frcmod.ionslm_1264_fb4</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
366 <option value="frcmod.ions234lm_iod_tip4pew">frcmod.ions234lm_iod_tip4pew</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
367 <option value="frcmod.ionsff99_tip3p">frcmod.ionsff99_tip3p</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
368 <option value="frcmod.vdWall">frcmod.vdWall</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
369 <option value="frcmod.ions234lm_126_tip3p">frcmod.ions234lm_126_tip3p</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
370 <option value="frcmod.parmbsc0_ezOL1">frcmod.parmbsc0_ezOL1</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
371 <option value="frcmod.ionslm_126_opc3">frcmod.ionslm_126_opc3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
372 <option value="parm99.dat">parm99.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
373 <option value="frcmod.ff03">frcmod.ff03</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
374 <option value="parmPM3.dat">parmPM3.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
375 <option value="parm96.dat">parm96.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
376 <option value="lipid14.dat">lipid14.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
377 <option value="frcmod.ionslm_1264_opc">frcmod.ionslm_1264_opc</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
378 <option value="parm91X.dat">parm91X.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
379 <option value="frcmod.DNA.OL15">frcmod.DNA.OL15</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
380 <option value="frcmod.ions1lm_126_tip4pew">frcmod.ions1lm_126_tip4pew</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
381 <option value="parm19.dat">parm19.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
382 <option value="frcmod.ionsjc_tip4pew">frcmod.ionsjc_tip4pew</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
383 <option value="frcmod.ionslm_hfe_fb4">frcmod.ionslm_hfe_fb4</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
384 <option value="frcmod.ff99bsc0CG">frcmod.ff99bsc0CG</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
385 <option value="frcmod.tip4p">frcmod.tip4p</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
386 <option value="GLYCAM_06h.dat">GLYCAM_06h.dat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
387 <option value="frcmod.ions234lm_iod_spce">frcmod.ions234lm_iod_spce</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
388 <option value="frcmod.ff19SBmodAA">frcmod.ff19SBmodAA</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
389 <option value="frcmod.protonated_nucleic">frcmod.protonated_nucleic</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
390 <option value="frcmod.RNA.LJbb">frcmod.RNA.LJbb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
391 <option value="opls.info">opls.info</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
392 <option value="frcmod.phmd">frcmod.phmd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
393 <option value="frcmod.ionslm_1264_opc3">frcmod.ionslm_1264_opc3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
394 <option value="frcmod.ions234lm_hfe_tip3p">frcmod.ions234lm_hfe_tip3p</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
395 <option value="frcmod.ionslm_iod_opc">frcmod.ionslm_iod_opc</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
396 <option value="frcmod.qspcfw">frcmod.qspcfw</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
397 <option value="frcmod.xFPchromophores">frcmod.xFPchromophores</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
398 <option value="__pycache__/validate_torsions.cpython-39.pyc">__pycache__/validate_torsions.cpython-39.pyc</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
399 <option value="leaprc.phosaa10">leaprc.phosaa10</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
400 <option value="leaprc.protein.ff15ipq">leaprc.protein.ff15ipq</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
401 <option value="leaprc.phosaa19SB">leaprc.phosaa19SB</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
402 <option value="leaprc.protein.ff14SB">leaprc.protein.ff14SB</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
403 <option value="leaprc.water.fb4">leaprc.water.fb4</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
404 <option value="leaprc.protein.ff19SB_modAA">leaprc.protein.ff19SB_modAA</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
405 <option value="leaprc.DNA.bsc1">leaprc.DNA.bsc1</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
406 <option value="leaprc.GLYCAM_06EPb">leaprc.GLYCAM_06EPb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
407 <option value="leaprc.amberdyes">leaprc.amberdyes</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
408 <option value="leaprc.protein.ff15ipq-vac">leaprc.protein.ff15ipq-vac</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
409 <option value="leaprc.mimetic.ff15ipq">leaprc.mimetic.ff15ipq</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
410 <option value="leaprc.protein.ff03ua">leaprc.protein.ff03ua</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
411 <option value="leaprc.gaff2">leaprc.gaff2</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
412 <option value="leaprc.gaff">leaprc.gaff</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
413 <option value="leaprc.water.tip3p">leaprc.water.tip3p</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
414 <option value="leaprc.protein.fb15">leaprc.protein.fb15</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
415 <option value="leaprc.RNA.YIL">leaprc.RNA.YIL</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
416 <option value="leaprc.water.tip4pd">leaprc.water.tip4pd</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
417 <option value="leaprc.lipid17">leaprc.lipid17</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
418 <option value="leaprc.water.tip4pew">leaprc.water.tip4pew</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
419 <option value="leaprc.phosaa14SB">leaprc.phosaa14SB</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
420 <option value="leaprc.lipid14">leaprc.lipid14</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
421 <option value="leaprc.DNA.OL15">leaprc.DNA.OL15</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
422 <option value="leaprc.constph">leaprc.constph</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
423 <option value="leaprc.water.fb3">leaprc.water.fb3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
424 <option value="leaprc.water.spce">leaprc.water.spce</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
425 <option value="leaprc.protein.ff19ipq">leaprc.protein.ff19ipq</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
426 <option value="leaprc.protein.ff14SB_modAA">leaprc.protein.ff14SB_modAA</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
427 <option value="leaprc.water.spceb">leaprc.water.spceb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
428 <option value="leaprc.ffAM1">leaprc.ffAM1</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
429 <option value="leaprc.ffPM3">leaprc.ffPM3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
430 <option value="leaprc.music">leaprc.music</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
431 <option value="leaprc.RNA.OL3">leaprc.RNA.OL3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
432 <option value="leaprc.conste">leaprc.conste</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
433 <option value="leaprc.RNA.Shaw">leaprc.RNA.Shaw</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
434 <option value="leaprc.RNA.LJbb">leaprc.RNA.LJbb</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
435 <option value="leaprc.modrna08">leaprc.modrna08</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
436 <option value="leaprc.GLYCAM_06j-1">leaprc.GLYCAM_06j-1</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
437 <option value="leaprc.protein.ff14SBonlysc">leaprc.protein.ff14SBonlysc</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
438 <option value="leaprc.water.opc">leaprc.water.opc</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
439 <option value="leaprc.xFPchromophores">leaprc.xFPchromophores</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
440 <option value="leaprc.water.opc3">leaprc.water.opc3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
441 <option value="leaprc.protein.ff19SB">leaprc.protein.ff19SB</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
442 <option value="leaprc.protein.ff03.r1">leaprc.protein.ff03.r1</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
443 <option value="leaprc.RNA.ROC">leaprc.RNA.ROC</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
444 <option value="oldff/leaprc.ff94.nmr">oldff/leaprc.ff94.nmr</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
445 <option value="oldff/leaprc.ff84">oldff/leaprc.ff84</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
446 <option value="oldff/leaprc.ff99SBildn">oldff/leaprc.ff99SBildn</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
447 <option value="oldff/leaprc.ff99SB">oldff/leaprc.ff99SB</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
448 <option value="oldff/leaprc.ff98">oldff/leaprc.ff98</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
449 <option value="oldff/leaprc.ff14SB.redq">oldff/leaprc.ff14SB.redq</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
450 <option value="oldff/leaprc.rna.ff84">oldff/leaprc.rna.ff84</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
451 <option value="oldff/leaprc.toyrna">oldff/leaprc.toyrna</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
452 <option value="oldff/leaprc.rna.ff98">oldff/leaprc.rna.ff98</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
453 <option value="oldff/leaprc.ff10">oldff/leaprc.ff10</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
454 <option value="oldff/leaprc.lipid11">oldff/leaprc.lipid11</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
455 <option value="oldff/leaprc.ff02">oldff/leaprc.ff02</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
456 <option value="oldff/leaprc.ff02polEP.r0">oldff/leaprc.ff02polEP.r0</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
457 <option value="oldff/leaprc.ff99">oldff/leaprc.ff99</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
458 <option value="oldff/leaprc.ff99bsc0">oldff/leaprc.ff99bsc0</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
459 <option value="oldff/leaprc.GLYCAM_06h-1">oldff/leaprc.GLYCAM_06h-1</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
460 <option value="oldff/leaprc.rna.ff02EP">oldff/leaprc.rna.ff02EP</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
461 <option value="oldff/leaprc.rna.ff94">oldff/leaprc.rna.ff94</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
462 <option value="oldff/leaprc.GLYCAM_06j_10">oldff/leaprc.GLYCAM_06j_10</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
463 <option value="oldff/leaprc.rna.ff99">oldff/leaprc.rna.ff99</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
464 <option value="oldff/leaprc.ff86">oldff/leaprc.ff86</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
465 <option value="oldff/leaprc.ff02polEP.r1">oldff/leaprc.ff02polEP.r1</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
466 <option value="oldff/leaprc.DNA.bsc0">oldff/leaprc.DNA.bsc0</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
467 <option value="oldff/leaprc.ff94">oldff/leaprc.ff94</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
468 <option value="oldff/leaprc.parmbsc0_chiOL4_ezOL1">oldff/leaprc.parmbsc0_chiOL4_ezOL1</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
469 <option value="oldff/leaprc.ff14SB">oldff/leaprc.ff14SB</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
470 <option value="oldff/leaprc.GLYCAM_06EP">oldff/leaprc.GLYCAM_06EP</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
471 <option value="oldff/leaprc.GLYCAM_04">oldff/leaprc.GLYCAM_04</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
472 <option value="oldff/leaprc.ff02pol.r0">oldff/leaprc.ff02pol.r0</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
473 <option value="oldff/leaprc.GLYCAM_06h-12SB">oldff/leaprc.GLYCAM_06h-12SB</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
474 <option value="oldff/leaprc.rna.ff02">oldff/leaprc.rna.ff02</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
475 <option value="oldff/leaprc.ff14ipq">oldff/leaprc.ff14ipq</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
476 <option value="oldff/leaprc.GLYCAM_06h">oldff/leaprc.GLYCAM_06h</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
477 <option value="oldff/leaprc.ff96">oldff/leaprc.ff96</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
478 <option value="oldff/leaprc.GLYCAM_06">oldff/leaprc.GLYCAM_06</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
479 <option value="oldff/leaprc.ff99SBnmr">oldff/leaprc.ff99SBnmr</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
480 <option value="oldff/leaprc.ff02pol.r1">oldff/leaprc.ff02pol.r1</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
481 <option value="oldff/leaprc.ff03">oldff/leaprc.ff03</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
482 </param>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
483 </xml>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
484 <xml name="addingions">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
485 <param name="arg_variable" label="Variable name of UNIT:" type="text" value="" help="The variable name that your system's components are assigned to."/>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
486 <param name="arg_ion1" label="ion1 type" type="text" value="" help="Atom type for ion, as written in your chosen forcefield file. For example, choose Cl- for chloride."/>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
487 <param name="arg__ion1" label="# of ion1 atoms to add" type="text" value="" help="Type 0 if you want to add enough ions to neutralize (if using the conventional 'addIons' command)."/>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
488 <param name="arg_ion2" label="ion2 type" type="text" value="" help="Atom type for ion, as written in your chosen forcefield file. For example, choose Na+ for sodium."/>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
489 <param name="arg__ion2" label="# of ion1 atoms to add" type="text" value="" help="Type 0 if you want to add enough ions to neutralize (if using the conventional 'addIons' command)."/>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
490 </xml>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
491 <xml name="unitvariable">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
492 <param name="arg_unit" label="Variable name of UNIT:" type="text" value="" help="This is the variable name for the target UNIT, which can be a protein, ligand, or any other unique molecular component of the system, that is loaded into LEaP. "/>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
493 </xml>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
494 <xml name="container">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
495 <param name="arg_container" label="container value" type="text" value="" help="UNIT/RESIDUE/ATOM to apply this to"/>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
496 </xml>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
497 <xml name="create">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
498 <param name="createVar_assign" label="Assign to variable named" type="text" value=""/>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
499 <param name="arg_name" label="name" type="text" value="" help="STRING"/>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
500 </xml>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
501 <xml name="object">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
502 <param name="arg_obj" label="obj value" type="text" value="" help="The object can be an entire UNIT, or use periods to choose specific RESIDUES (UNIT.RESIDUE#) and/or ATOMS (UNIT.RESIDUE#.ATOMname) within it." />
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
503 </xml>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
504 <xml name="newfile">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
505 <param name="newfile" label="new file to save data into" type="text" />
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
506 </xml>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
507 <xml name="loadfile" token_data_format="txt">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
508 <param name="arg_filename" label="File" type="data" format="@DATA_FORMAT@" />
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
509 </xml>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
510 <xml name="defaultsettings">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
511 <param name="settingsvariable" label="Parameter to adjust" type="select" value="" help="">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
512 <option value="PdbWriteCharges">PdbWriteCharges</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
513 <option value="OldPrmtopFormat">OldPrmtopFormat</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
514 <option value="Gibbs">Gibbs</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
515 <option value="UseResIds">UseResIds</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
516 <option value="Charmm">Charmm</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
517 <option value="DeleteExtraPointAngles">DeleteExtraPointAngles</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
518 <option value="FlexibleWater">FlexibleWater</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
519 <option value="PBRadii">PBRadii</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
520 <option value="Dielectric">Dielectric</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
521 <option value="dipole_damp_factor">dipole_damp_factor</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
522 <option value="sceescalefactor">sceescalefactor</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
523 <option value="scnbscalefactor">scnbscalefactor</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
524 <option value="CMAP">CMAP</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
525 <option value="PHIPSIMAP">PHIPSIMAP</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
526 <option value="ipol">ipol</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
527 <option value="nocenter">nocenter</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
528 <option value="reorder_residues">reorder_residues</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
529 </param>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
530 </xml>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
531 <xml name="settingoptions">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
532 <param name="usersetting" label="setting" type="select" help="If unsure of what to choose, please refer to the 'help' message for this command by scrolling down this page, to see which settings apply to each command.">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
533 <option value="on">ON</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
534 <option value="off">OFF</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
535 <option value="bondi">bondi</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
536 <option value="mbondi">mbondi</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
537 <option value="mbondi2">mbondi2</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
538 <option value="mbondi3">mbondi3</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
539 <option value="parse">parse</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
540 <option value="pbamber">pbamber</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
541 <option value="amber6">amber6</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
542 <option value="distance">distance</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
543 <option value="constant">constant</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
544 <option value="real">real</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
545 <option value="integer">integer</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
546 </param>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
547 </xml>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
548 <xml name="solvateparams">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
549 <param name="arg_solute" label="solute UNIT" type="text" value="" help="This is the variable name for the target UNIT, which can be a protein, ligand, or any other unique molecular component of the system that is loaded into LEaP and you are now trying to solvate. "/>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
550 <param name="arg_solvent" label="solvent UNIT" type="text" value="" help="The UNIT name for the water model you would like to use. Options include TIP3PBOX, TIP4PBOX, TIP4PEWBOX, and TIP5PBOX. "/>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
551 <param name="arg_buffer" label="buffer value" type="text" value="" help="object"/>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
552 <param name="arg_closeness" label="closeness value" type="text" value="" help="This is used to control the extent to which solvent atoms overlap solute atoms. The default value is 1.0, which allows no overlap. "/>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
553 </xml>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
554 <xml name="amberfiles_conditional">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
555 <conditional name="file_source">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
556 <param name="file_source_selector" type="select" label="Select file source">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
parents:
diff changeset
557 <option value="history">From history</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
chemteam
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558 <option value="builtin">From Built-in AmberTools data</option>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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559 </param>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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560 <when value="history">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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561 <expand macro="loadfile" />
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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562 </when>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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563 <when value="builtin">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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564 <expand macro="builtin_amberfiles" />
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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565 </when>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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566 </conditional>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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567 </xml>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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568 <xml name="citations">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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569 <citations>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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570 <citation type="doi">10.1002/jcc.20290</citation>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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571 <citation type="bibtex">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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572 @misc{ambertools, author = {D.A. Case, I.Y. Ben-Shalom, S.R. Brozell, D.S. Cerutti, T.E. Cheatham, III, V.W.D. Cruzeiro, T.A. Darden, R.E. Duke, D. Ghoreishi, M.K. Gilson, H. Gohlke, A.W. Goetz, D. Greene, R Harris, N. Homeyer, S. Izadi, A.
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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573 Kovalenko, T. Kurtzman, T.S. Lee, S. LeGrand, P. Li, C. Lin, J. Liu, T. Luchko, R. Luo, D.J. Mermelstein, K.M. Merz, Y. Miao, G. Monard, C. Nguyen, H. Nguyen, I. Omelyan, A. Onufriev, F. Pan, R. Qi, D.R. Roe, A. Roitberg, C. Sagui, S. Schott-Verdugo,
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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574 J. Shen, C.L. Simmerling, J. Smith, R. Salomon-Ferrer, J. Swails, R.C. Walker, J. Wang, H. Wei, R.M. Wolf, X. Wu, L. Xiao, D.M. York and P.A. Kollman }, year = {2018}, title = {AMBER 2018}, publisher = {University of California, San Francisco}, url =
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575 {http://ambermd.org/CiteAmber.php}, }</citation>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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576 <yield/>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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577 </citations>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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578 </xml>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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579 <xml name="mmpbsa_citation">
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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580 <citation type="doi">10.1021/ct300418h</citation>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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581 </xml>
3de1359b86cc "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit def3e8d4a983ab47ceedde678f585b54c79bb8d1"
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582 </macros>