comparison CADDSuite/galaxyconfigs/tools/MolDepict.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="moldepict" name="MolDepict" version="0.94">
    <description>create structure diagrams</description>
    <command interpreter="bash"><![CDATA[../../MolDepict 
#if str( $i ) != ''  and str( $i ) != 'None' :
   -i "$i"
#end if

   -max "$max"
#end if
 | tail -n 5
]]></command>
    <inputs>
        <param name="i" label="input file" optional="false" type="data" format="mol2/sdf/drf"/>
        <param name="max" label="maximal number of pictures (default=60, 0=unlimited)" optional="true" type="text" area="true" size="1x5" value="60"/>
    </inputs>
    <outputs>
        <data name="o" format="pdf"/>
    </outputs>
    <help>This tool create structure diagrams for small molecules.

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="moldepict" name="MolDepict" version="0.95">
    <description>create structure diagrams</description>
    <command interpreter="bash"><![CDATA[../../MolDepict 
#if str( $i ) != ''  and str( $i ) != 'None' :
   -i "$i"
#end if

   -max "$max"
#end if
 | tail -n 5
]]></command>
    <inputs>
        <param name="i" optional="false" label="input file" type="data" format="mol2/sdf/drf"/>
        <param name="max" optional="true" label="Optional: maximal number of pictures (default=60, 0=unlimited)" type="text" area="true" size="1x5" value="60"/>
    </inputs>
    <outputs>
        <data name="o" format="pdf"/>
    </outputs>
    <help>This tool create structure diagrams for small molecules.