Mercurial > repos > bgruening > ctb_im_cluster_butina
comparison macros.xml @ 0:ad2b25cca758 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/im-pipelines commit 598dd288a384481b7602a0f6322c5081dc8da5d9"
author | bgruening |
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date | Tue, 21 Jul 2020 05:23:57 -0400 |
parents | |
children | 65316a9205f5 |
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-1:000000000000 | 0:ad2b25cca758 |
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1 <macros> | |
2 <token name="@TOOL_VERSION@">1.1.3</token> | |
3 <xml name="requirements"> | |
4 <requirements> | |
5 <requirement type="package" version="@TOOL_VERSION@">im-pipelines</requirement> | |
6 </requirements> | |
7 </xml> | |
8 | |
9 <xml name="input"> | |
10 <param name="infile" type="data" format="sdf" label="Input file" help="Input file in SDF or JSON format"/> | |
11 </xml> | |
12 | |
13 <xml name="outputs" token_output_format="sdf" token_filetype="sdf"> | |
14 <outputs> | |
15 <data name="outfile" format="@FILETYPE@" label="Output (@FILETYPE@) for ${tool.name}" from_work_dir="outp.@OUTPUT_FORMAT@"/> | |
16 <data name="logfile" format="txt" label="Logfile for ${tool.name}"/> | |
17 </outputs> | |
18 </xml> | |
19 | |
20 <xml name="citations"> | |
21 <citations> | |
22 <citation type="bibtex"> | |
23 @article{rdkit, | |
24 author = {Greg Landrum and others}, | |
25 title = {RDKit: Open-source cheminformatics}, | |
26 url = {http://www.rdkit.org} | |
27 }</citation> | |
28 <citation type="bibtex"> | |
29 @article{im-pipelines, | |
30 author = {Tim Dudgeon and others}, | |
31 title = {InformaticsMatters pipeline components for cheminformatics and computational chemistry.}, | |
32 url = {https://github.com/InformaticsMatters/pipelines} | |
33 }</citation> | |
34 <yield /> | |
35 </citations> | |
36 </xml> | |
37 </macros> |