Mercurial > repos > recetox > msmetaenhancer
comparison macros.xml @ 12:a6af1e124e06 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit 4b8a43b863ff8a0ff1d5a08e516068853adf358d
| author | recetox |
|---|---|
| date | Tue, 16 Apr 2024 11:29:50 +0000 |
| parents | 791bf4d9b06c |
| children | b5467dead5b1 |
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| 11:791bf4d9b06c | 12:a6af1e124e06 |
|---|---|
| 1 <macros> | 1 <macros> |
| 2 <token name="@TOOL_VERSION@">0.4.0</token> | 2 <token name="@TOOL_VERSION@">0.3.0</token> |
| 3 | 3 |
| 4 <xml name="creator"> | 4 <xml name="creator"> |
| 5 <creator> | 5 <creator> |
| 6 <person | 6 <person |
| 7 givenName="Matej" | 7 givenName="Matej" |
| 38 ]]> | 38 ]]> |
| 39 </token> | 39 </token> |
| 40 | 40 |
| 41 <xml name="job_options"> | 41 <xml name="job_options"> |
| 42 <option value="canonical_smiles mw RDKit">RDKit: canonical_smiles -> mw</option> | 42 <option value="canonical_smiles mw RDKit">RDKit: canonical_smiles -> mw</option> |
| 43 <option value="formula mw RDKit">RDKit: formula -> mw</option> | |
| 44 <option value="inchi canonical_smiles RDKit">RDKit: inchi -> canonical_smiles</option> | 43 <option value="inchi canonical_smiles RDKit">RDKit: inchi -> canonical_smiles</option> |
| 45 <option value="inchi isomeric_smiles RDKit">RDKit: inchi -> isomeric_smiles</option> | 44 <option value="inchi isomeric_smiles RDKit">RDKit: inchi -> isomeric_smiles</option> |
| 46 <option value="isomeric_smiles mw RDKit">RDKit: isomeric_smiles -> mw</option> | 45 <option value="isomeric_smiles mw RDKit">RDKit: isomeric_smiles -> mw</option> |
| 47 <option value="smiles mw RDKit">RDKit: smiles -> mw</option> | 46 <option value="smiles mw RDKit">RDKit: smiles -> mw</option> |
| 48 <option value="compound_name canonical_smiles IDSM">IDSM: compound_name -> canonical_smiles</option> | 47 <option value="compound_name canonical_smiles IDSM">IDSM: compound_name -> canonical_smiles</option> |
| 81 <option value="inchi formula PubChem">PubChem: inchi -> formula</option> | 80 <option value="inchi formula PubChem">PubChem: inchi -> formula</option> |
| 82 <option value="inchi inchikey PubChem">PubChem: inchi -> inchikey</option> | 81 <option value="inchi inchikey PubChem">PubChem: inchi -> inchikey</option> |
| 83 <option value="inchi isomeric_smiles PubChem">PubChem: inchi -> isomeric_smiles</option> | 82 <option value="inchi isomeric_smiles PubChem">PubChem: inchi -> isomeric_smiles</option> |
| 84 <option value="inchi iupac_name PubChem">PubChem: inchi -> iupac_name</option> | 83 <option value="inchi iupac_name PubChem">PubChem: inchi -> iupac_name</option> |
| 85 <option value="inchi pubchemid PubChem">PubChem: inchi -> pubchemid</option> | 84 <option value="inchi pubchemid PubChem">PubChem: inchi -> pubchemid</option> |
| 86 <option value="inchikey canonical_smiles PubChem">PubChem: inchikey -> canonical_smiles</option> | |
| 87 <option value="inchikey formula PubChem">PubChem: inchikey -> formula</option> | |
| 88 <option value="inchikey inchi PubChem">PubChem: inchikey -> inchi</option> | |
| 89 <option value="inchikey isomeric_smiles PubChem">PubChem: inchikey -> isomeric_smiles</option> | |
| 90 <option value="inchikey iupac_name PubChem">PubChem: inchikey -> iupac_name</option> | |
| 91 <option value="inchikey pubchemid PubChem">PubChem: inchikey -> pubchemid</option> | |
| 92 <option value="pubchemid canonical_smiles PubChem">PubChem: pubchemid -> canonical_smiles</option> | |
| 93 <option value="pubchemid formula PubChem">PubChem: pubchemid -> formula</option> | |
| 94 <option value="pubchemid hmdbid PubChem">PubChem: pubchemid -> hmdbid</option> | 85 <option value="pubchemid hmdbid PubChem">PubChem: pubchemid -> hmdbid</option> |
| 95 <option value="pubchemid inchi PubChem">PubChem: pubchemid -> inchi</option> | 86 <option value="pubchemid inchi PubChem">PubChem: pubchemid -> inchi</option> |
| 96 <option value="pubchemid inchikey PubChem">PubChem: pubchemid -> inchikey</option> | |
| 97 <option value="pubchemid isomeric_smiles PubChem">PubChem: pubchemid -> isomeric_smiles</option> | |
| 98 <option value="pubchemid iupac_name PubChem">PubChem: pubchemid -> iupac_name</option> | |
| 99 <option value="chebiid chemspiderid BridgeDb">BridgeDb: chebiid -> chemspiderid</option> | 87 <option value="chebiid chemspiderid BridgeDb">BridgeDb: chebiid -> chemspiderid</option> |
| 100 <option value="chebiid hmdbid BridgeDb">BridgeDb: chebiid -> hmdbid</option> | 88 <option value="chebiid hmdbid BridgeDb">BridgeDb: chebiid -> hmdbid</option> |
| 101 <option value="chebiid keggid BridgeDb">BridgeDb: chebiid -> keggid</option> | 89 <option value="chebiid keggid BridgeDb">BridgeDb: chebiid -> keggid</option> |
| 102 <option value="chebiid pubchemid BridgeDb">BridgeDb: chebiid -> pubchemid</option> | 90 <option value="chebiid pubchemid BridgeDb">BridgeDb: chebiid -> pubchemid</option> |
| 103 <option value="chebiid wikidataid BridgeDb">BridgeDb: chebiid -> wikidataid</option> | 91 <option value="chebiid wikidataid BridgeDb">BridgeDb: chebiid -> wikidataid</option> |