Mercurial > repos > marcel > caddsuite_mac10_6
comparison CADDSuite/galaxyconfigs/tools/LigandFileSplitter.xml @ 0:8ce0411aaeb3
Uploaded CADDSuite version 0.94
| author | marcel |
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| date | Sun, 26 Jun 2011 14:01:09 -0400 |
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| -1:000000000000 | 0:8ce0411aaeb3 |
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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="ligandfilesplitter" name="LigandFileSplitter" version="0.94"> | |
| 4 <description>split molecule files</description> | |
| 5 <command interpreter="bash"><![CDATA[../../LigandFileSplitter | |
| 6 #if str( $i ) != '' and str( $i ) != 'None' : | |
| 7 -i "$i" | |
| 8 #end if | |
| 9 #if str( $no ) != '' and str( $no ) != 'None' : | |
| 10 -no "$no" | |
| 11 #end if | |
| 12 #if str( $o ) != '' and str( $o ) != 'None' : | |
| 13 -o "$o" | |
| 14 #end if | |
| 15 #if str( $o2 ) != '' and str( $o2 ) != 'None' : | |
| 16 -o "$o2" | |
| 17 #end if | |
| 18 #if str( $o3 ) != '' and str( $o3 ) != 'None' : | |
| 19 -o "$o3" | |
| 20 #end if | |
| 21 #if str( $o4 ) != '' and str( $o4 ) != 'None' : | |
| 22 -o "$o4" | |
| 23 #end if | |
| 24 #if str( $o5 ) != '' and str( $o5 ) != 'None' : | |
| 25 -o "$o5" | |
| 26 #end if | |
| 27 #if str( $o6 ) != '' and str( $o6 ) != 'None' : | |
| 28 -o "$o6" | |
| 29 #end if | |
| 30 #if str( $o7 ) != '' and str( $o7 ) != 'None' : | |
| 31 -o "$o7" | |
| 32 #end if | |
| 33 #if str( $o8 ) != '' and str( $o8 ) != 'None' : | |
| 34 -o "$o8" | |
| 35 #end if | |
| 36 #if str( $o9 ) != '' and str( $o9 ) != 'None' : | |
| 37 -o "$o9" | |
| 38 #end if | |
| 39 #if str( $o10 ) != '' and str( $o10 ) != 'None' : | |
| 40 -o "$o10" | |
| 41 #end if | |
| 42 #if str( $o11 ) != '' and str( $o11 ) != 'None' : | |
| 43 -o "$o11" | |
| 44 #end if | |
| 45 #if str( $o12 ) != '' and str( $o12 ) != 'None' : | |
| 46 -o "$o12" | |
| 47 #end if | |
| 48 #if str( $o13 ) != '' and str( $o13 ) != 'None' : | |
| 49 -o "$o13" | |
| 50 #end if | |
| 51 #if str( $o14 ) != '' and str( $o14 ) != 'None' : | |
| 52 -o "$o14" | |
| 53 #end if | |
| 54 #if str( $o15 ) != '' and str( $o15 ) != 'None' : | |
| 55 -o "$o15" | |
| 56 #end if | |
| 57 | tail -n 5 | |
| 58 ]]></command> | |
| 59 <inputs> | |
| 60 <param name="i" label="input molecule file" optional="false" type="data" format="mol2/sdf/drf"/> | |
| 61 <param name="no" label="no. of splits to be created" optional="false" type="hidden" area="true" size="1x5" value="15"/> | |
| 62 </inputs> | |
| 63 <outputs> | |
| 64 <data name="o" format="mol2/sdf/drf" format_source="i"/> | |
| 65 <data name="o2" format="mol2/sdf/drf" format_source="i"/> | |
| 66 <data name="o3" format="mol2/sdf/drf" format_source="i"/> | |
| 67 <data name="o4" format="mol2/sdf/drf" format_source="i"/> | |
| 68 <data name="o5" format="mol2/sdf/drf" format_source="i"/> | |
| 69 <data name="o6" format="mol2/sdf/drf" format_source="i"/> | |
| 70 <data name="o7" format="mol2/sdf/drf" format_source="i"/> | |
| 71 <data name="o8" format="mol2/sdf/drf" format_source="i"/> | |
| 72 <data name="o9" format="mol2/sdf/drf" format_source="i"/> | |
| 73 <data name="o10" format="mol2/sdf/drf" format_source="i"/> | |
| 74 <data name="o11" format="mol2/sdf/drf" format_source="i"/> | |
| 75 <data name="o12" format="mol2/sdf/drf" format_source="i"/> | |
| 76 <data name="o13" format="mol2/sdf/drf" format_source="i"/> | |
| 77 <data name="o14" format="mol2/sdf/drf" format_source="i"/> | |
| 78 <data name="o15" format="mol2/sdf/drf" format_source="i"/> | |
| 79 </outputs> | |
| 80 <help>LigandFileSplitter splits a molecule file into a given number of subsets. | |
| 81 Note that the molecules are not sorted in any way for this. | |
| 82 | |
| 83 Since Galaxy does not support a flexible number of output-files, we will create 15 output files when you use LigandFileSplitter in Galaxy.</help> | |
| 84 </tool> |