Mercurial > repos > recetox > msmetaenhancer
comparison macros.xml @ 0:053ce79ed564 draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit 2c9c75f7d0c5fcadf1fe0284dd767ea5c6f6be51"
| author | recetox |
|---|---|
| date | Tue, 11 Jan 2022 15:12:26 +0000 |
| parents | |
| children | 4c328e0e59ab |
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| -1:000000000000 | 0:053ce79ed564 |
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| 1 <macros> | |
| 2 <token name="@TOOL_VERSION@">0.1.2</token> | |
| 3 <xml name="creator"> | |
| 4 <creator> | |
| 5 <organization | |
| 6 url="https://www.recetox.muni.cz/" | |
| 7 name="RECETOX MUNI" /> | |
| 8 </creator> | |
| 9 </xml> | |
| 10 <token name="@HELP@"> | |
| 11 <![CDATA[ | |
| 12 MSMetaEnhancer will fetch and update various metadata included in your spectra .msp dataset. | |
| 13 It does so through a series of conversions ran on all entries in a given file. These conversions fetch | |
| 14 metadata from various online services. If no conversions are specified, all possible jobs will be executed in an arbitrary order. | |
| 15 | |
| 16 Every conversion specifies `service`, `source` and `target` attributes. This can be read as the `service` will receive the `source` attribute | |
| 17 and based on that determines the `target` attribute. For example, the conversion `PubChem: inchi -> smiles` uses PubChem to convert | |
| 18 InChI to SMILES. | |
| 19 | |
| 20 The execution speed and results themselves can be affected by specifying the conversions, or their order. | |
| 21 | |
| 22 For detailed documentation of the tool please visit https://msmetaenhancer.readthedocs.io/. | |
| 23 ]]> | |
| 24 </token> | |
| 25 | |
| 26 <xml name="job_options"> | |
| 27 <option value="inchi formula PubChem">PubChem: inchi -> formula</option> | |
| 28 <option value="inchi inchikey PubChem">PubChem: inchi -> inchikey</option> | |
| 29 <option value="inchi iupac_name PubChem">PubChem: inchi -> iupac_name</option> | |
| 30 <option value="inchi smiles PubChem">PubChem: inchi -> smiles</option> | |
| 31 <option value="name formula PubChem">PubChem: name -> formula</option> | |
| 32 <option value="name inchi PubChem">PubChem: name -> inchi</option> | |
| 33 <option value="name inchikey PubChem">PubChem: name -> inchikey</option> | |
| 34 <option value="name iupac_name PubChem">PubChem: name -> iupac_name</option> | |
| 35 <option value="name smiles PubChem">PubChem: name -> smiles</option> | |
| 36 <option value="casno smiles CIR">CIR: casno -> smiles</option> | |
| 37 <option value="inchikey casno CIR">CIR: inchikey -> casno</option> | |
| 38 <option value="inchikey formula CIR">CIR: inchikey -> formula</option> | |
| 39 <option value="inchikey inchi CIR">CIR: inchikey -> inchi</option> | |
| 40 <option value="inchikey smiles CIR">CIR: inchikey -> smiles</option> | |
| 41 <option value="smiles inchikey CIR">CIR: smiles -> inchikey</option> | |
| 42 <option value="casno inchikey CTS">CTS: casno -> inchikey</option> | |
| 43 <option value="inchikey inchi CTS">CTS: inchikey -> inchi</option> | |
| 44 <option value="inchikey iupac_name CTS">CTS: inchikey -> iupac_name</option> | |
| 45 <option value="inchikey name CTS">CTS: inchikey -> name</option> | |
| 46 <option value="name inchikey CTS">CTS: name -> inchikey</option> | |
| 47 <option value="inchikey casno NLM">NLM: inchikey -> casno</option> | |
| 48 <option value="inchikey formula NLM">NLM: inchikey -> formula</option> | |
| 49 <option value="inchikey name NLM">NLM: inchikey -> name</option> | |
| 50 <option value="name casno NLM">NLM: name -> casno</option> | |
| 51 <option value="name formula NLM">NLM: name -> formula</option> | |
| 52 <option value="name inchikey NLM">NLM: name -> inchikey</option> | |
| 53 </xml> | |
| 54 | |
| 55 </macros> |