Mercurial > repos > recetox > msmetaenhancer
view macros.xml @ 2:4ae5b466a805 draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit f09a5b3ee451d78dc025baee5eccb099f71be2b4"
author | recetox |
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date | Tue, 15 Feb 2022 12:26:04 +0000 |
parents | 4c328e0e59ab |
children | b48c57453a25 |
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<macros> <token name="@TOOL_VERSION@">0.1.3</token> <xml name="creator"> <creator> <person givenName="Matej" familyName="Troják" url="https://github.com/xtrojak" identifier="0000-0003-0841-2707" /> <organization url="https://www.recetox.muni.cz/" email="GalaxyToolsDevelopmentandDeployment@space.muni.cz" name="RECETOX MUNI" /> </creator> </xml> <token name="@HELP@"> <![CDATA[ MSMetaEnhancer will fetch and update various metadata included in your spectra .msp dataset. It does so through a series of conversions ran on all entries in a given file. These conversions fetch metadata from various online services. If no conversions are specified, all possible jobs will be executed in an arbitrary order. Every conversion specifies `service`, `source` and `target` attributes. This can be read as the `service` will receive the `source` attribute and based on that determines the `target` attribute. For example, the conversion `PubChem: inchi -> smiles` uses PubChem to convert InChI to SMILES. The execution speed and results themselves can be affected by specifying the conversions, or their order. For detailed documentation of the tool please visit https://msmetaenhancer.readthedocs.io/. ]]> </token> <xml name="job_options"> <option value="inchi canonical_smiles PubChem">PubChem: inchi -> canonical_smiles</option> <option value="inchi formula PubChem">PubChem: inchi -> formula</option> <option value="inchi inchikey PubChem">PubChem: inchi -> inchikey</option> <option value="inchi isomeric_smiles PubChem">PubChem: inchi -> isomeric_smiles</option> <option value="inchi iupac_name PubChem">PubChem: inchi -> iupac_name</option> <option value="name canonical_smiles PubChem">PubChem: name -> canonical_smiles</option> <option value="name formula PubChem">PubChem: name -> formula</option> <option value="name inchi PubChem">PubChem: name -> inchi</option> <option value="name inchikey PubChem">PubChem: name -> inchikey</option> <option value="name isomeric_smiles PubChem">PubChem: name -> isomeric_smiles</option> <option value="name iupac_name PubChem">PubChem: name -> iupac_name</option> <option value="casno inchikey CTS">CTS: casno -> inchikey</option> <option value="inchikey inchi CTS">CTS: inchikey -> inchi</option> <option value="inchikey iupac_name CTS">CTS: inchikey -> iupac_name</option> <option value="inchikey name CTS">CTS: inchikey -> name</option> <option value="name inchikey CTS">CTS: name -> inchikey</option> <option value="casno smiles CIR">CIR: casno -> smiles</option> <option value="inchi smiles CIR">CIR: inchi -> smiles</option> <option value="inchikey casno CIR">CIR: inchikey -> casno</option> <option value="inchikey formula CIR">CIR: inchikey -> formula</option> <option value="inchikey inchi CIR">CIR: inchikey -> inchi</option> <option value="inchikey smiles CIR">CIR: inchikey -> smiles</option> <option value="smiles inchikey CIR">CIR: smiles -> inchikey</option> <option value="inchikey casno NLM">NLM: inchikey -> casno</option> <option value="inchikey formula NLM">NLM: inchikey -> formula</option> <option value="inchikey name NLM">NLM: inchikey -> name</option> <option value="name casno NLM">NLM: name -> casno</option> <option value="name formula NLM">NLM: name -> formula</option> <option value="name inchikey NLM">NLM: name -> inchikey</option> </xml> </macros>