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2 <!--This is a configuration file for the integration of a CADDSuite tool into Galaxy (http://usegalaxy.org). This file was automatically generated using GalaxyConfigGenerator, so do not bother to make too many manual modifications.-->
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3 <tool id="ligandfilesplitter" name="LigandFileSplitter" version="0.95">
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4 <description>split molecule files</description>
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5 <command interpreter="bash"><![CDATA[../../LigandFileSplitter
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6 #if str( $i ) != '' and str( $i ) != 'None' :
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7 -i "$i"
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8 #end if
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9 #if str( $no ) != '' and str( $no ) != 'None' :
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10 -no "$no"
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11 #end if
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12 #if str( $o ) != '' and str( $o ) != 'None' :
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13 -o "$o"
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14 #end if
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15 #if str( $o2 ) != '' and str( $o2 ) != 'None' :
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16 -o "$o2"
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17 #end if
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18 #if str( $o3 ) != '' and str( $o3 ) != 'None' :
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19 -o "$o3"
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20 #end if
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21 #if str( $o4 ) != '' and str( $o4 ) != 'None' :
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22 -o "$o4"
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23 #end if
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24 #if str( $o5 ) != '' and str( $o5 ) != 'None' :
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25 -o "$o5"
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26 #end if
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27 #if str( $o6 ) != '' and str( $o6 ) != 'None' :
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28 -o "$o6"
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29 #end if
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30 #if str( $o7 ) != '' and str( $o7 ) != 'None' :
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31 -o "$o7"
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32 #end if
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33 #if str( $o8 ) != '' and str( $o8 ) != 'None' :
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34 -o "$o8"
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35 #end if
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36 #if str( $o9 ) != '' and str( $o9 ) != 'None' :
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37 -o "$o9"
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38 #end if
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39 #if str( $o10 ) != '' and str( $o10 ) != 'None' :
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40 -o "$o10"
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41 #end if
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42 #if str( $o11 ) != '' and str( $o11 ) != 'None' :
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43 -o "$o11"
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44 #end if
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45 #if str( $o12 ) != '' and str( $o12 ) != 'None' :
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46 -o "$o12"
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47 #end if
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48 #if str( $o13 ) != '' and str( $o13 ) != 'None' :
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49 -o "$o13"
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50 #end if
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51 #if str( $o14 ) != '' and str( $o14 ) != 'None' :
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52 -o "$o14"
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53 #end if
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54 #if str( $o15 ) != '' and str( $o15 ) != 'None' :
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55 -o "$o15"
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56 #end if
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57 | tail -n 5
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58 ]]></command>
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59 <inputs>
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60 <param name="i" optional="false" label="input molecule file" type="data" format="mol2/sdf/drf"/>
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61 <param name="no" optional="false" label="no. of splits to be created" type="hidden" area="true" size="1x5" value="15"/>
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62 </inputs>
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63 <outputs>
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64 <data name="o" format="mol2/sdf/drf" format_source="i"/>
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65 <data name="o2" format="mol2/sdf/drf" format_source="i"/>
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66 <data name="o3" format="mol2/sdf/drf" format_source="i"/>
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67 <data name="o4" format="mol2/sdf/drf" format_source="i"/>
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68 <data name="o5" format="mol2/sdf/drf" format_source="i"/>
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69 <data name="o6" format="mol2/sdf/drf" format_source="i"/>
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70 <data name="o7" format="mol2/sdf/drf" format_source="i"/>
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71 <data name="o8" format="mol2/sdf/drf" format_source="i"/>
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72 <data name="o9" format="mol2/sdf/drf" format_source="i"/>
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73 <data name="o10" format="mol2/sdf/drf" format_source="i"/>
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74 <data name="o11" format="mol2/sdf/drf" format_source="i"/>
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75 <data name="o12" format="mol2/sdf/drf" format_source="i"/>
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76 <data name="o13" format="mol2/sdf/drf" format_source="i"/>
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77 <data name="o14" format="mol2/sdf/drf" format_source="i"/>
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78 <data name="o15" format="mol2/sdf/drf" format_source="i"/>
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79 </outputs>
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80 <help>LigandFileSplitter splits a molecule file into a given number of subsets.
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81 Note that the molecules are not sorted in any way for this.
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82
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83 Since Galaxy does not support a flexible number of output-files, we will create 15 output files when you use LigandFileSplitter in Galaxy.</help>
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84 </tool> |
