Mercurial > repos > recetox > msmetaenhancer

comparison macros.xml @ 10:3e2cb0bc6959 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
author recetox
date Thu, 12 Oct 2023 13:30:31 +0000
parents 2ada1099f42e
children 791bf4d9b06c
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9:90745ecc5e9f 10:3e2cb0bc6959
26 InChI to SMILES. 26 InChI to SMILES.
27 27
28 The execution speed and results themselves can be affected by specifying the conversions, or their order. 28 The execution speed and results themselves can be affected by specifying the conversions, or their order.
29 29
30 For detailed documentation of the tool please visit https://msmetaenhancer.readthedocs.io/. 30 For detailed documentation of the tool please visit https://msmetaenhancer.readthedocs.io/.
31
32 ## Developer instructions
33
34 When updating this tool, it is necessary to make sure that `job_options` in `macros.xml` config file are up-to-date.
35 This can be done by running `galaxy/generate_options.py` script in [MSMetaEnhancer](https://github.com/RECETOX/MSMetaEnhancer) tool and
36 copying generated options to the macro.
37
31 ]]> 38 ]]>
32 </token> 39 </token>
33 40
34 <xml name="job_options"> 41 <xml name="job_options">
35 <option value="canonical_smiles mw RDKit">RDKit: canonical_smiles -> mw</option> 42 <option value="canonical_smiles mw RDKit">RDKit: canonical_smiles -> mw</option>