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comparison modify/change_title_to_metadata_value.xml @ 2:125da3a296ca draft default tip

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author bgruening
date Wed, 15 Jul 2015 12:13:08 -0400
parents 527ecd2fc500
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1:b52872a1755a 2:125da3a296ca
3 <parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="outfile"></parallelism> 3 <parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="outfile"></parallelism>
4 <requirements> 4 <requirements>
5 <requirement type="package" version="2.3.2">openbabel</requirement> 5 <requirement type="package" version="2.3.2">openbabel</requirement>
6 </requirements> 6 </requirements>
7 <command interpreter="python"> 7 <command interpreter="python">
8 <![CDATA[
8 ## The command is a Cheetah template which allows some Python based syntax. 9 ## The command is a Cheetah template which allows some Python based syntax.
9 ## Lines starting hash hash are comments. Galaxy will turn newlines into spaces 10 ## Lines starting hash hash are comments. Galaxy will turn newlines into spaces
10 change_title_to_metadata_value.py 11 change_title_to_metadata_value.py
11 --infile "${infile}" 12 --infile "${infile}"
12 --key "${key}" 13 --key "${key}"
13 --outfile "${outfile}" 14 --outfile "${outfile}"
15 ]]>
14 </command> 16 </command>
15 <inputs> 17 <inputs>
16 <param name="infile" type="data" format="sdf,mol2" label="Compound File" help="Specify a compound file in SD- or MOL2-format."/> 18 <param name="infile" type="data" format="sdf,mol2" label="Compound File" help="Specify a compound file in SD- or MOL2-format."/>
17 <param name="key" type="text" format="text" label="Compound Identifier encoded in the SDF file." help="Specify the key name of the SDF metadata, that contains the molecule identifier."/> 19 <param name="key" type="text" format="text" label="Compound Identifier encoded in the SDF file." help="Specify the key name of the SDF metadata, that contains the molecule identifier."/>
18 </inputs> 20 </inputs>
23 <param name="infile" type="sdf" value="CID_3033.sdf"/> 25 <param name="infile" type="sdf" value="CID_3033.sdf"/>
24 <param name="key" value="PUBCHEM_SHAPE_VOLUME"/> 26 <param name="key" value="PUBCHEM_SHAPE_VOLUME"/>
25 <data name="output" type="sdf" file="change_title_on_CID_3033.sdf"/> 27 <data name="output" type="sdf" file="change_title_on_CID_3033.sdf"/>
26 </tests> 28 </tests>
27 <help> 29 <help>
30 <![CDATA[
28 31
29 .. class:: infomark 32 .. class:: infomark
30 33
31 **What this tool does** 34 **What this tool does**
32 35
58 61
59 `Open Babel`_ 62 `Open Babel`_
60 63
61 .. _Open Babel: http://openbabel.org/wiki/Main_Page 64 .. _Open Babel: http://openbabel.org/wiki/Main_Page
62 65
66 ]]>
63 </help> 67 </help>
64 </tool> 68 </tool>