Mercurial > repos > bgruening > prepare_ligands_for_docking
comparison macros.xml @ 0:06340f46ecb8 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 72df8ae9b8fd9910b3d24aa0836b9b3c9d43f4fb
| author | bgruening |
|---|---|
| date | Fri, 10 May 2019 08:55:09 -0400 |
| parents | |
| children | 2ba07316c7e0 |
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| -1:000000000000 | 0:06340f46ecb8 |
|---|---|
| 1 <macros> | |
| 2 <token name="@VERSION@">2.4.2</token> | |
| 3 | |
| 4 <xml name="requirements"> | |
| 5 <requirements> | |
| 6 <requirement type="package" version="2.4.1">openbabel</requirement> | |
| 7 <requirement type="package" version="3">python</requirement> | |
| 8 <yield /> | |
| 9 </requirements> | |
| 10 </xml> | |
| 11 | |
| 12 <xml name="output_like_input"> | |
| 13 <data name="outfile" format_source="infile" /> | |
| 14 </xml> | |
| 15 | |
| 16 <xml name="infile_all_types"> | |
| 17 <param name="infile" format="sdf,mol,mol2,cml,inchi,smi,pdb" type="data" label="Molecular input file" | |
| 18 help="Valid file types are: SDF, MOL, MOL2, CML, InChI, SMILES, and PDB"/> | |
| 19 </xml> | |
| 20 | |
| 21 <xml name="2D_3D_opts"> | |
| 22 <param name="gen2d" type="boolean" truevalue="--gen2d" falsevalue="" checked="false" | |
| 23 label="Generate 2D coordinates" help="(--gen2d)" /> | |
| 24 <param name="gen3d" type="boolean" truevalue="--gen3d" falsevalue="" checked="false" | |
| 25 label="Generate 3D coordinates" help="(--gen3d)" /> | |
| 26 </xml> | |
| 27 | |
| 28 <xml name="stdio"> | |
| 29 <stdio> | |
| 30 <exit_code range="1:" level="fatal" description="Error occurred. Please check Tool Standard Error" /> | |
| 31 </stdio> | |
| 32 </xml> | |
| 33 | |
| 34 <xml name="citations"> | |
| 35 <citations> | |
| 36 <citation type="doi">10.1186/1758-2946-3-33</citation> | |
| 37 <yield /> | |
| 38 </citations> | |
| 39 </xml> | |
| 40 </macros> |