Mercurial > repos > bgruening > openbabel_multi_obgrep
comparison macros.xml @ 4:e1e344bd8a84 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit c84729ec58f7f52d594066158afed175208d3d66
author | bgruening |
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date | Wed, 24 May 2017 10:01:44 -0400 |
parents | 9af19e769427 |
children |
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3:e2a5f6a63030 | 4:e1e344bd8a84 |
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11 <xml name="output_like_input"> | 11 <xml name="output_like_input"> |
12 <data name="outfile" format_source="infile" /> | 12 <data name="outfile" format_source="infile" /> |
13 </xml> | 13 </xml> |
14 | 14 |
15 <xml name="infile_all_types"> | 15 <xml name="infile_all_types"> |
16 <param name="infile" format="sdf,mol,mol2,cml,inchi,smi" type="data" label="Molecular input file" | 16 <param name="infile" format="sdf,mol,mol2,cml,inchi,smi,pdb" type="data" label="Molecular input file" |
17 help="Valid file types are: SDF, MOL, MOL2, CML, InChI and SMILES"/> | 17 help="Valid file types are: SDF, MOL, MOL2, CML, InChI, SMILES, and PDB"/> |
18 </xml> | 18 </xml> |
19 | 19 |
20 <xml name="2D_3D_opts"> | 20 <xml name="2D_3D_opts"> |
21 <param name="gen2d" type="boolean" truevalue="--gen2d" falsevalue="" checked="false" | 21 <param name="gen2d" type="boolean" truevalue="--gen2d" falsevalue="" checked="false" |
22 label="Generate 2D coordinates" help="(--gen2d)" /> | 22 label="Generate 2D coordinates" help="(--gen2d)" /> |