comparison CADDSuite/galaxyconfigs/tools/ProteinProtonator.xml @ 5:b7a89b15646f

Uploaded

4:02c8570cde57

<!--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.-->
<tool id="proteinprotonator" name="ProteinProtonator" version="0.94">
    <description>protonate protein structures</description>
    <command interpreter="bash"><![CDATA[../../ProteinProtonator 
#if str( $i ) != ''  and str( $i ) != 'None' :
   -i "$i"
#end if

   -ph "$ph"
#end if
 | tail -n 5
]]></command>
    <inputs>
        <param name="i" label="input file" optional="false" type="data" format="pdb"/>
        <param name="ph" label="pH-value for pH-dep. protonation" optional="true" type="text" area="true" size="1x5" value="7.0"/>
    </inputs>
    <outputs>
        <data name="o" format="pdb" format_source="i"/>
    </outputs>
    <help>ProteinProtonator allows you add hydrogens to a protein structure.

5:b7a89b15646f

<!--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.-->
<tool id="proteinprotonator" name="ProteinProtonator" version="0.95">
    <description>protonate protein structures</description>
    <command interpreter="bash"><![CDATA[../../ProteinProtonator 
#if str( $i ) != ''  and str( $i ) != 'None' :
   -i "$i"
#end if

   -ph "$ph"
#end if
 | tail -n 5
]]></command>
    <inputs>
        <param name="i" optional="false" label="input file" type="data" format="pdb"/>
        <param name="ph" optional="true" label="Optional: pH-value for pH-dep. protonation" type="text" area="true" size="1x5" value="7.0"/>
    </inputs>
    <outputs>
        <data name="o" format="pdb" format_source="i"/>
    </outputs>
    <help>ProteinProtonator allows you add hydrogens to a protein structure.