Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite-1.0.1/galaxyconfigs/tools/Converter.xml @ 9:2cff9609f2c7
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| author | marcel |
|---|---|
| date | Tue, 15 Nov 2011 10:40:26 -0500 |
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| 8:9ab6da6cd36c | 9:2cff9609f2c7 |
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| 1 | |
| 2 <!--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.--> | |
| 3 <tool id="converter" name="Converter" version="1.0.1"> | |
| 4 <description>interconvert molecular file-formats</description> | |
| 5 <command interpreter="bash"><![CDATA[../../Converter | |
| 6 #if str( $i ) != '' and str( $i ) != 'None' : | |
| 7 -i "$i" | |
| 8 #end if | |
| 9 #if str( $o ) != '' and str( $o ) != 'None' : | |
| 10 -o "$o" | |
| 11 #end if | |
| 12 #if str( $f ) != '' and str( $f ) != 'None' : | |
| 13 -f "$f" | |
| 14 #end if | |
| 15 #if str( $rm ) != '' and str( $rm ) != 'None' : | |
| 16 -rm | |
| 17 #end if | |
| 18 | tail -n 5 | |
| 19 ]]></command> | |
| 20 <inputs> | |
| 21 <param name="i" optional="false" label="input file" type="data" format="mol2/sdf/drf"/> | |
| 22 <param name="f" optional="true" label="output format" type="select"> | |
| 23 <option value="mol2">mol2</option> | |
| 24 <option value="sdf">sdf</option> | |
| 25 <option value="drf">drf</option> | |
| 26 <option value="pdb">pdb</option> | |
| 27 <option value="ac">ac</option> | |
| 28 <option value="ent">ent</option> | |
| 29 <option value="brk">brk</option> | |
| 30 <option value="hin">hin</option> | |
| 31 <option value="mol">mol</option> | |
| 32 <option value="xyz">xyz</option> | |
| 33 <option value="mol2.gz">mol2.gz</option> | |
| 34 <option value="sdf.gz">sdf.gz</option> | |
| 35 <option value="drf.gz">drf.gz</option> | |
| 36 <option value="pdb.gz">pdb.gz</option> | |
| 37 <option value="ac.gz">ac.gz</option> | |
| 38 <option value="ent.gz">ent.gz</option> | |
| 39 <option value="brk.gz">brk.gz</option> | |
| 40 <option value="hin.gz">hin.gz</option> | |
| 41 <option value="mol.gz">mol.gz</option> | |
| 42 <option value="xyz.gz">xyz.gz</option> | |
| 43 </param> | |
| 44 <param name="rm" optional="true" label="remove input file when finished" type="boolean" truevalue="true" falsevalue=""/> | |
| 45 </inputs> | |
| 46 <outputs> | |
| 47 <data name="o" format="mol2/sdf/drf"> | |
| 48 <change_format> | |
| 49 <when input="f" value="mol2" format="mol2"/> | |
| 50 <when input="f" value="sdf" format="sdf"/> | |
| 51 <when input="f" value="drf" format="drf"/> | |
| 52 <when input="f" value="pdb" format="pdb"/> | |
| 53 <when input="f" value="ac" format="ac"/> | |
| 54 <when input="f" value="ent" format="ent"/> | |
| 55 <when input="f" value="brk" format="brk"/> | |
| 56 <when input="f" value="hin" format="hin"/> | |
| 57 <when input="f" value="mol" format="mol"/> | |
| 58 <when input="f" value="xyz" format="xyz"/> | |
| 59 <when input="f" value="mol2.gz" format="mol2.gz"/> | |
| 60 <when input="f" value="sdf.gz" format="sdf.gz"/> | |
| 61 <when input="f" value="drf.gz" format="drf.gz"/> | |
| 62 <when input="f" value="pdb.gz" format="pdb.gz"/> | |
| 63 <when input="f" value="ac.gz" format="ac.gz"/> | |
| 64 <when input="f" value="ent.gz" format="ent.gz"/> | |
| 65 <when input="f" value="brk.gz" format="brk.gz"/> | |
| 66 <when input="f" value="hin.gz" format="hin.gz"/> | |
| 67 <when input="f" value="mol.gz" format="mol.gz"/> | |
| 68 <when input="f" value="xyz.gz" format="xyz.gz"/> | |
| 69 </change_format> | |
| 70 </data> | |
| 71 </outputs> | |
| 72 <help>This tool can be used to convert between different molecular file-formats. | |
| 73 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> | |
| 74 </tool> |