annotate galaxy_stubs/MolDepict.xml @ 2:605370bc1def draft default tip

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<?xml version='1.0' encoding='UTF-8'?>
<!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTD2Galaxy.-->
<!--Proposed Tool Section: [Convert, combine and store]-->
<tool id="MolDepict" name="MolDepict" version="1.1.0">
  <description>create structure diagrams</description>
  <macros>
    <token name="@EXECUTABLE@">MolDepict</token>
    <import>macros.xml</import>
  </macros>
  <expand macro="stdio"/>
  <expand macro="requirements"/>
  <command>MolDepict

#if $param_i:
  -i $param_i
#end if
#if $param_o:
  -o $param_o
#end if
#if $param_max:
  -max $param_max
#end if
</command>
  <inputs>
    <param name="param_i" type="data" format="xyz.gz,ac,drf.gz,mol2.gz,mol2,sdf.gz,pdb.gz,ent.gz,mol.gz,hin.gz,sdf,ent,brk.gz,mol,ac.gz,brk,xyz,pdb,hin,drf" optional="False" value="&lt;class 'CTDopts.CTDopts._Null'&gt;" label="input file" help="(-i) "/>
    <param name="param_max" type="integer" value="60" label="maximal number of pictures (default=60, 0=unlimited)" help="(-max) "/>
  </inputs>
  <expand macro="advanced_options"/>
  <outputs>
    <data name="param_o" format="pdf"/>
  </outputs>
  <help>This tool create structure diagrams for small molecules.
Supported input-formats are mol, mol2, sdf, drf.

Output of this tool is one pdf-file containing the structure diagrams for all molecules in the input-file.

</help>
</tool>