Mercurial > repos > bgruening > prepare_ligands_for_docking

comparison macros.xml @ 5:a5f4b80e6769 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 1fe240ef0064a1a4a66d9be1ccace53824280b75"
author bgruening
date Mon, 19 Oct 2020 14:48:46 +0000
parents de4c80d17527
children 5486f7a2b0cb
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4:de4c80d17527 5:a5f4b80e6769
14 </xml> 14 </xml>
15 15
16 <xml name="infile_all_types"> 16 <xml name="infile_all_types">
17 <param name="infile" format="sdf,mol,mol2,cml,inchi,smi,pdb" type="data" label="Molecular input file" 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"/> 18 help="Valid file types are: SDF, MOL, MOL2, CML, InChI, SMILES, and PDB"/>
19 </xml>
20
21 <xml name="infile_all_types_except_inchi">
22 <param name="infile" format="sdf,mol,mol2,cml,smi,pdb" type="data" label="Molecular input file"
23 help="Valid file types are: SDF, MOL, MOL2, CML, SMILES, and PDB"/>
19 </xml> 24 </xml>
20 25
21 <xml name="2D_3D_opts"> 26 <xml name="2D_3D_opts">
22 <param name="gen2d" type="boolean" truevalue="--gen2d" falsevalue="" checked="false" 27 <param name="gen2d" type="boolean" truevalue="--gen2d" falsevalue="" checked="false"
23 label="Generate 2D coordinates" help="(--gen2d)" /> 28 label="Generate 2D coordinates" help="(--gen2d)" />