Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite/galaxyconfigs/tools/ProteinProtonator.xml @ 5:b7a89b15646f
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author | marcel |
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date | Tue, 12 Jul 2011 10:23:33 -0400 |
parents | ff6df146c0d5 |
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4:02c8570cde57 | 5:b7a89b15646f |
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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.--> | 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="proteinprotonator" name="ProteinProtonator" version="0.94"> | 3 <tool id="proteinprotonator" name="ProteinProtonator" version="0.95"> |
4 <description>protonate protein structures</description> | 4 <description>protonate protein structures</description> |
5 <command interpreter="bash"><![CDATA[../../ProteinProtonator | 5 <command interpreter="bash"><![CDATA[../../ProteinProtonator |
6 #if str( $i ) != '' and str( $i ) != 'None' : | 6 #if str( $i ) != '' and str( $i ) != 'None' : |
7 -i "$i" | 7 -i "$i" |
8 #end if | 8 #end if |
13 -ph "$ph" | 13 -ph "$ph" |
14 #end if | 14 #end if |
15 | tail -n 5 | 15 | tail -n 5 |
16 ]]></command> | 16 ]]></command> |
17 <inputs> | 17 <inputs> |
18 <param name="i" label="input file" optional="false" type="data" format="pdb"/> | 18 <param name="i" optional="false" label="input file" type="data" format="pdb"/> |
19 <param name="ph" label="pH-value for pH-dep. protonation" optional="true" type="text" area="true" size="1x5" value="7.0"/> | 19 <param name="ph" optional="true" label="Optional: pH-value for pH-dep. protonation" type="text" area="true" size="1x5" value="7.0"/> |
20 </inputs> | 20 </inputs> |
21 <outputs> | 21 <outputs> |
22 <data name="o" format="pdb" format_source="i"/> | 22 <data name="o" format="pdb" format_source="i"/> |
23 </outputs> | 23 </outputs> |
24 <help>ProteinProtonator allows you add hydrogens to a protein structure. | 24 <help>ProteinProtonator allows you add hydrogens to a protein structure. |