Mercurial > repos > chemteam > mdanalysis_rdf
annotate macros.xml @ 5:b63a8bdb4b90 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 12823af06b7926cc56aaf9b59cfea9f16d342b8c"
author | chemteam |
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date | Thu, 06 Feb 2020 19:42:13 -0500 |
parents | 36babbdd7818 |
children | 1a220575ad7a |
rev | line source |
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0
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
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changeset
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1 <macros> |
4
36babbdd7818
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
3
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2 <token name="@VERSION@">0.20</token> |
0
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
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3 <xml name="requirements"> |
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
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4 <requirements> |
4
36babbdd7818
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
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5 <requirement type="package" version="0.20.1">mdanalysis</requirement> |
3
49dac57d004a
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
chemteam
parents:
0
diff
changeset
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6 <yield/> |
0
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
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7 </requirements> |
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
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8 </xml> |
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
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9 <xml name="analysis_inputs"> |
4
36babbdd7818
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
3
diff
changeset
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10 <param format="dcd,xtc" name="trajin" type="data" label="DCD/XTC trajectory input"/> |
36babbdd7818
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
3
diff
changeset
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11 <param format="pdb,gro" name="strin" type="data" label="PDB/GRO input"/> |
0
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
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12 <yield/> |
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
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13 </xml> |
3
49dac57d004a
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
chemteam
parents:
0
diff
changeset
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14 <xml name="sanitizer"> |
49dac57d004a
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
chemteam
parents:
0
diff
changeset
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15 <sanitizer invalid_char=""> |
49dac57d004a
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
chemteam
parents:
0
diff
changeset
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16 <valid initial="string.ascii_letters,string.digits"/> |
49dac57d004a
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
chemteam
parents:
0
diff
changeset
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17 </sanitizer> |
49dac57d004a
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
chemteam
parents:
0
diff
changeset
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18 <yield/> |
49dac57d004a
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
chemteam
parents:
0
diff
changeset
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19 </xml> |
49dac57d004a
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
chemteam
parents:
0
diff
changeset
|
20 <xml name="sanitizer_resids"> |
49dac57d004a
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
chemteam
parents:
0
diff
changeset
|
21 <sanitizer invalid_char=""> |
49dac57d004a
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
chemteam
parents:
0
diff
changeset
|
22 <valid initial="string.digits"/> |
49dac57d004a
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
chemteam
parents:
0
diff
changeset
|
23 </sanitizer> |
49dac57d004a
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
chemteam
parents:
0
diff
changeset
|
24 <yield/> |
49dac57d004a
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
chemteam
parents:
0
diff
changeset
|
25 </xml> |
0
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
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26 <xml name="tests_inputs"> |
4
36babbdd7818
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
3
diff
changeset
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27 <param name="trajin" value="test.dcd" ftype="dcd"/> |
36babbdd7818
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
3
diff
changeset
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28 <param name="strin" value="test.pdb" ftype="pdb"/> |
36babbdd7818
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
3
diff
changeset
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29 <yield/> |
36babbdd7818
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
3
diff
changeset
|
30 </xml> |
36babbdd7818
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
3
diff
changeset
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31 <xml name="tests_inputs_gmx"> |
36babbdd7818
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
3
diff
changeset
|
32 <param name="trajin" value="test.xtc" ftype="xtc"/> |
36babbdd7818
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
chemteam
parents:
3
diff
changeset
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33 <param name="strin" value="test.gro" ftype="gro"/> |
0
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
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34 <yield/> |
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
|
35 </xml> |
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
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36 <xml name="citations"> |
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
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37 <citations> |
3
49dac57d004a
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
chemteam
parents:
0
diff
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38 <citation type="doi">10.1093/bioinformatics/btz107</citation> |
0
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
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39 <citation type="doi">10.1002/jcc.21787</citation> |
3
49dac57d004a
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
chemteam
parents:
0
diff
changeset
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40 <yield/> |
0
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
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41 </citations> |
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
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42 </xml> |
9bb57bd1fdc8
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit c32fe331f438df7760084b27bafad9f78f01edde
chemteam
parents:
diff
changeset
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43 </macros> |