comparison CADDSuite/galaxyconfigs/tools/LigandFileSplitter.xml @ 0:8ce0411aaeb3

Uploaded CADDSuite version 0.94
author marcel
date Sun, 26 Jun 2011 14:01:09 -0400
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-1:000000000000 0:8ce0411aaeb3
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>