Mercurial > repos > recetox > msmetaenhancer

comparison macros.xml @ 11:791bf4d9b06c draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit 17a9f7a879086d08cd5e8ce11f2eb22f1e054ea5
author recetox
date Tue, 16 Apr 2024 11:23:32 +0000
parents 3e2cb0bc6959
children a6af1e124e06
comparison
equal deleted inserted replaced
10:3e2cb0bc6959 11:791bf4d9b06c
1 <macros> 1 <macros>
2 <token name="@TOOL_VERSION@">0.3.0</token> 2 <token name="@TOOL_VERSION@">0.4.0</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>
43 <option value="inchi canonical_smiles RDKit">RDKit: inchi -> canonical_smiles</option> 44 <option value="inchi canonical_smiles RDKit">RDKit: inchi -> canonical_smiles</option>
44 <option value="inchi isomeric_smiles RDKit">RDKit: inchi -> isomeric_smiles</option> 45 <option value="inchi isomeric_smiles RDKit">RDKit: inchi -> isomeric_smiles</option>
45 <option value="isomeric_smiles mw RDKit">RDKit: isomeric_smiles -> mw</option> 46 <option value="isomeric_smiles mw RDKit">RDKit: isomeric_smiles -> mw</option>
46 <option value="smiles mw RDKit">RDKit: smiles -> mw</option> 47 <option value="smiles mw RDKit">RDKit: smiles -> mw</option>
47 <option value="compound_name canonical_smiles IDSM">IDSM: compound_name -> canonical_smiles</option> 48 <option value="compound_name canonical_smiles IDSM">IDSM: compound_name -> canonical_smiles</option>
80 <option value="inchi formula PubChem">PubChem: inchi -> formula</option> 81 <option value="inchi formula PubChem">PubChem: inchi -> formula</option>
81 <option value="inchi inchikey PubChem">PubChem: inchi -> inchikey</option> 82 <option value="inchi inchikey PubChem">PubChem: inchi -> inchikey</option>
82 <option value="inchi isomeric_smiles PubChem">PubChem: inchi -> isomeric_smiles</option> 83 <option value="inchi isomeric_smiles PubChem">PubChem: inchi -> isomeric_smiles</option>
83 <option value="inchi iupac_name PubChem">PubChem: inchi -> iupac_name</option> 84 <option value="inchi iupac_name PubChem">PubChem: inchi -> iupac_name</option>
84 <option value="inchi pubchemid PubChem">PubChem: inchi -> pubchemid</option> 85 <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>
85 <option value="pubchemid hmdbid PubChem">PubChem: pubchemid -> hmdbid</option> 94 <option value="pubchemid hmdbid PubChem">PubChem: pubchemid -> hmdbid</option>
86 <option value="pubchemid inchi PubChem">PubChem: pubchemid -> inchi</option> 95 <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>
87 <option value="chebiid chemspiderid BridgeDb">BridgeDb: chebiid -> chemspiderid</option> 99 <option value="chebiid chemspiderid BridgeDb">BridgeDb: chebiid -> chemspiderid</option>
88 <option value="chebiid hmdbid BridgeDb">BridgeDb: chebiid -> hmdbid</option> 100 <option value="chebiid hmdbid BridgeDb">BridgeDb: chebiid -> hmdbid</option>
89 <option value="chebiid keggid BridgeDb">BridgeDb: chebiid -> keggid</option> 101 <option value="chebiid keggid BridgeDb">BridgeDb: chebiid -> keggid</option>
90 <option value="chebiid pubchemid BridgeDb">BridgeDb: chebiid -> pubchemid</option> 102 <option value="chebiid pubchemid BridgeDb">BridgeDb: chebiid -> pubchemid</option>
91 <option value="chebiid wikidataid BridgeDb">BridgeDb: chebiid -> wikidataid</option> 103 <option value="chebiid wikidataid BridgeDb">BridgeDb: chebiid -> wikidataid</option>