Mercurial > repos > bgruening > openbabel_spectrophore_search
comparison macros.xml @ 0:7133973beaf0 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
| author | bgruening |
|---|---|
| date | Sat, 20 May 2017 08:40:10 -0400 |
| parents | |
| children | 99ecf8dd7ba1 |
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| -1:000000000000 | 0:7133973beaf0 |
|---|---|
| 1 <macros> | |
| 2 <token name="@VERSION@">2.4.1</token> | |
| 3 | |
| 4 <xml name="requirements"> | |
| 5 <requirements> | |
| 6 <requirement type="package" version="2.4.1">openbabel</requirement> | |
| 7 <yield /> | |
| 8 </requirements> | |
| 9 </xml> | |
| 10 | |
| 11 <xml name="output_like_input"> | |
| 12 <data name="outfile" format_source="infile" /> | |
| 13 </xml> | |
| 14 | |
| 15 <xml name="infile_all_types"> | |
| 16 <param name="infile" format="sdf,mol,mol2,cml,inchi,smi" type="data" label="Molecular input file" | |
| 17 help="Valid file types are: SDF, MOL, MOL2, CML, InChI and SMILES"/> | |
| 18 </xml> | |
| 19 | |
| 20 <xml name="2D_3D_opts"> | |
| 21 <param name="gen2d" type="boolean" truevalue="--gen2d" falsevalue="" checked="false" | |
| 22 label="Generate 2D coordinates" help="(--gen2d)" /> | |
| 23 <param name="gen3d" type="boolean" truevalue="--gen3d" falsevalue="" checked="false" | |
| 24 label="Generate 3D coordinates" help="(--gen3d)" /> | |
| 25 </xml> | |
| 26 | |
| 27 <xml name="stdio"> | |
| 28 <stdio> | |
| 29 <exit_code range="1:" level="fatal" description="Error occurred. Please check Tool Standard Error" /> | |
| 30 </stdio> | |
| 31 </xml> | |
| 32 | |
| 33 <xml name="citations"> | |
| 34 <citations> | |
| 35 <citation type="doi">10.1186/1758-2946-3-33</citation> | |
| 36 <yield /> | |
| 37 </citations> | |
| 38 </xml> | |
| 39 </macros> | |
| 40 | |
| 41 | |
| 42 |