Mercurial > repos > recetox > msmetaenhancer
diff macros.xml @ 0:053ce79ed564 draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit 2c9c75f7d0c5fcadf1fe0284dd767ea5c6f6be51"
author | recetox |
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date | Tue, 11 Jan 2022 15:12:26 +0000 |
parents | |
children | 4c328e0e59ab |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/macros.xml Tue Jan 11 15:12:26 2022 +0000 @@ -0,0 +1,55 @@ +<macros> + <token name="@TOOL_VERSION@">0.1.2</token> + <xml name="creator"> + <creator> + <organization + url="https://www.recetox.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 formula PubChem">PubChem: inchi -> formula</option> + <option value="inchi inchikey PubChem">PubChem: inchi -> inchikey</option> + <option value="inchi iupac_name PubChem">PubChem: inchi -> iupac_name</option> + <option value="inchi smiles PubChem">PubChem: inchi -> 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 iupac_name PubChem">PubChem: name -> iupac_name</option> + <option value="name smiles PubChem">PubChem: name -> smiles</option> + <option value="casno smiles CIR">CIR: casno -> 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="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="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>