Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite/galaxyconfigs/tools/PDBCutter.xml @ 5:b7a89b15646f
Uploaded
| author | marcel |
|---|---|
| date | Tue, 12 Jul 2011 10:23:33 -0400 |
| parents | ff6df146c0d5 |
| children |
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| 4:02c8570cde57 | 5:b7a89b15646f |
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| 1 | 1 |
| 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.--> | 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.--> |
| 3 <tool id="pdbcutter" name="PDBCutter" version="0.94"> | 3 <tool id="pdbcutter" name="PDBCutter" version="0.95"> |
| 4 <description>separate ligand and receptor</description> | 4 <description>separate ligand and receptor</description> |
| 5 <command interpreter="bash"><![CDATA[../../PDBCutter | 5 <command interpreter="bash"><![CDATA[../../PDBCutter |
| 6 #if str( $i ) != '' and str( $i ) != 'None' : | 6 #if str( $i ) != '' and str( $i ) != 'None' : |
| 7 -i "$i" | 7 -i "$i" |
| 8 #end if | 8 #end if |
| 25 -rm_res "$rm_res" | 25 -rm_res "$rm_res" |
| 26 #end if | 26 #end if |
| 27 | tail -n 5 | 27 | tail -n 5 |
| 28 ]]></command> | 28 ]]></command> |
| 29 <inputs> | 29 <inputs> |
| 30 <param name="i" label="input pdb-file" optional="false" type="data" format="pdb"/> | 30 <param name="i" optional="false" label="input pdb-file" type="data" format="pdb"/> |
| 31 <param name="lig_chain" label="chain-name of ligand" optional="false" area="true" type="text" size="1x15"/> | 31 <param name="lig_chain" optional="false" label="chain-name of ligand" area="true" type="text" size="1x15"/> |
| 32 <param name="lig_name" label="ligand name" optional="false" area="true" type="text" size="1x15"/> | 32 <param name="lig_name" optional="false" label="ligand name" area="true" type="text" size="1x15"/> |
| 33 <param name="rm_ch" label="protein chains that are to be deleted" optional="true" area="true" type="text" size="1x15"/> | 33 <param name="rm_ch" optional="true" label="Optional: protein chains that are to be deleted" area="true" type="text" size="1x15"/> |
| 34 <param name="rm_res" label="pdb-residues that are to be deleted (e.g. water or ions)" optional="true" area="true" type="text" size="1x15"/> | 34 <param name="rm_res" optional="true" label="Optional: pdb-residues that are to be deleted (e.g. water or ions)" area="true" type="text" size="1x15"/> |
| 35 </inputs> | 35 </inputs> |
| 36 <outputs> | 36 <outputs> |
| 37 <data name="rec" format="pdb"/> | 37 <data name="rec" format="pdb"/> |
| 38 <data name="lig" format="pdb"/> | 38 <data name="lig" format="pdb"/> |
| 39 </outputs> | 39 </outputs> |