Mercurial > repos > bgruening > openbabel_compound_convert
comparison macros.xml @ 4:56080bd1eb86 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit c84729ec58f7f52d594066158afed175208d3d66
| author | bgruening |
|---|---|
| date | Wed, 24 May 2017 10:02:09 -0400 |
| parents | edb576416262 |
| children | a9df9aae60bb |
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| 3:9e653f5c1996 | 4:56080bd1eb86 |
|---|---|
| 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)" /> |