view CADDSuite-1.5/galaxyconfigs/tools/Converter.xml @ 16:1a24aef40d01 draft

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<!--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="converter" name="Converter" version="1.5">
    <description>interconvert molecular file-formats</description>
    <command interpreter="bash"><![CDATA[../../Converter 
#if str( $i ) != ''  and str( $i ) != 'None' :
   -i "$i"
#end if
#if str( $o ) != ''  and str( $o ) != 'None' :
   -o "$o"
#end if
#if str( $f ) != ''  and str( $f ) != 'None' :
   -f "$f"
#end if
#if str( $rm ) != ''  and str( $rm ) != 'None' :
   -rm
#end if
 | tail -n 5
]]></command>
    <inputs>
        <param name="i" optional="false" label="input file" type="data" format="mol2/sdf/drf"/>
        <param name="f" optional="true" label="output format" type="select">
            <option value="mol2">mol2</option>
            <option value="sdf">sdf</option>
            <option value="drf">drf</option>
            <option value="pdb">pdb</option>
            <option value="ac">ac</option>
            <option value="ent">ent</option>
            <option value="brk">brk</option>
            <option value="hin">hin</option>
            <option value="mol">mol</option>
            <option value="xyz">xyz</option>
            <option value="mol2.gz">mol2.gz</option>
            <option value="sdf.gz">sdf.gz</option>
            <option value="drf.gz">drf.gz</option>
            <option value="pdb.gz">pdb.gz</option>
            <option value="ac.gz">ac.gz</option>
            <option value="ent.gz">ent.gz</option>
            <option value="brk.gz">brk.gz</option>
            <option value="hin.gz">hin.gz</option>
            <option value="mol.gz">mol.gz</option>
            <option value="xyz.gz">xyz.gz</option>
        </param>
        <param name="rm" optional="true" label="remove input file when finished" type="boolean" truevalue="true" falsevalue=""/>
    </inputs>
    <outputs>
        <data name="o" format="mol2/sdf/drf">
            <change_format>
                <when input="f" value="mol2" format="mol2"/>
                <when input="f" value="sdf" format="sdf"/>
                <when input="f" value="drf" format="drf"/>
                <when input="f" value="pdb" format="pdb"/>
                <when input="f" value="ac" format="ac"/>
                <when input="f" value="ent" format="ent"/>
                <when input="f" value="brk" format="brk"/>
                <when input="f" value="hin" format="hin"/>
                <when input="f" value="mol" format="mol"/>
                <when input="f" value="xyz" format="xyz"/>
                <when input="f" value="mol2.gz" format="mol2.gz"/>
                <when input="f" value="sdf.gz" format="sdf.gz"/>
                <when input="f" value="drf.gz" format="drf.gz"/>
                <when input="f" value="pdb.gz" format="pdb.gz"/>
                <when input="f" value="ac.gz" format="ac.gz"/>
                <when input="f" value="ent.gz" format="ent.gz"/>
                <when input="f" value="brk.gz" format="brk.gz"/>
                <when input="f" value="hin.gz" format="hin.gz"/>
                <when input="f" value="mol.gz" format="mol.gz"/>
                <when input="f" value="xyz.gz" format="xyz.gz"/>
            </change_format>
        </data>
    </outputs>
    <help>This tool can be used to convert between different molecular file-formats.
Supported formats are mol2, sdf, drf, pdb, ac, ent, brk, hin, mol, xyz, mol2.gz, sdf.gz, drf.gz, pdb.gz, ac.gz, ent.gz, brk.gz, hin.gz, mol.gz, xyz.gz.</help>
</tool>