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view galaxy_stubs/MolDepict.xml @ 2:605370bc1def draft default tip
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author | luis |
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date | Tue, 12 Jul 2016 12:33:33 -0400 |
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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="<class 'CTDopts.CTDopts._Null'>" 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>