Mercurial > repos > recetox > msmetaenhancer

comparison macros.xml @ 3:b48c57453a25 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit 26bede767f65ec97ac84b8cc3309db0aced22d53"
author recetox
date Tue, 22 Mar 2022 15:33:04 +0000
parents 4ae5b466a805
children e329be622dc8
comparison
equal deleted inserted replaced
2:4ae5b466a805 3:b48c57453a25
1 <macros> 1 <macros>
2 <token name="@TOOL_VERSION@">0.1.3</token> 2 <token name="@TOOL_VERSION@">0.2.0</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"
30 For detailed documentation of the tool please visit https://msmetaenhancer.readthedocs.io/. 30 For detailed documentation of the tool please visit https://msmetaenhancer.readthedocs.io/.
31 ]]> 31 ]]>
32 </token> 32 </token>
33 33
34 <xml name="job_options"> 34 <xml name="job_options">
35 <option value="inchi canonical_smiles PubChem">PubChem: inchi -> canonical_smiles</option> 35 <option value="canonical_smiles mw RDKit">RDKit: canonical_smiles -> mw</option>
36 <option value="inchi formula PubChem">PubChem: inchi -> formula</option> 36 <option value="isomeric_smiles mw RDKit">RDKit: isomeric_smiles -> mw</option>
37 <option value="inchi inchikey PubChem">PubChem: inchi -> inchikey</option> 37 <option value="smiles mw RDKit">RDKit: smiles -> mw</option>
38 <option value="inchi isomeric_smiles PubChem">PubChem: inchi -> isomeric_smiles</option> 38 <option value="compound_name canonical_smiles IDSM">IDSM: compound_name -> canonical_smiles</option>
39 <option value="inchi iupac_name PubChem">PubChem: inchi -> iupac_name</option> 39 <option value="compound_name formula IDSM">IDSM: compound_name -> formula</option>
40 <option value="name canonical_smiles PubChem">PubChem: name -> canonical_smiles</option> 40 <option value="compound_name inchi IDSM">IDSM: compound_name -> inchi</option>
41 <option value="name formula PubChem">PubChem: name -> formula</option> 41 <option value="compound_name inchikey IDSM">IDSM: compound_name -> inchikey</option>
42 <option value="name inchi PubChem">PubChem: name -> inchi</option> 42 <option value="compound_name isomeric_smiles IDSM">IDSM: compound_name -> isomeric_smiles</option>
43 <option value="name inchikey PubChem">PubChem: name -> inchikey</option> 43 <option value="compound_name iupac_name IDSM">IDSM: compound_name -> iupac_name</option>
44 <option value="name isomeric_smiles PubChem">PubChem: name -> isomeric_smiles</option> 44 <option value="inchi canonical_smiles IDSM">IDSM: inchi -> canonical_smiles</option>
45 <option value="name iupac_name PubChem">PubChem: name -> iupac_name</option> 45 <option value="inchi formula IDSM">IDSM: inchi -> formula</option>
46 <option value="inchi inchikey IDSM">IDSM: inchi -> inchikey</option>
47 <option value="inchi isomeric_smiles IDSM">IDSM: inchi -> isomeric_smiles</option>
48 <option value="inchi iupac_name IDSM">IDSM: inchi -> iupac_name</option>
49 <option value="iupac_name inchi IDSM">IDSM: iupac_name -> inchi</option>
50 <option value="casno inchi CTS">CTS: casno -> inchi</option>
46 <option value="casno inchikey CTS">CTS: casno -> inchikey</option> 51 <option value="casno inchikey CTS">CTS: casno -> inchikey</option>
52 <option value="compound_name inchikey CTS">CTS: compound_name -> inchikey</option>
53 <option value="hmdbid inchi CTS">CTS: hmdbid -> inchi</option>
54 <option value="inchikey compound_name CTS">CTS: inchikey -> compound_name</option>
47 <option value="inchikey inchi CTS">CTS: inchikey -> inchi</option> 55 <option value="inchikey inchi CTS">CTS: inchikey -> inchi</option>
48 <option value="inchikey iupac_name CTS">CTS: inchikey -> iupac_name</option> 56 <option value="inchikey iupac_name CTS">CTS: inchikey -> iupac_name</option>
49 <option value="inchikey name CTS">CTS: inchikey -> name</option>
50 <option value="name inchikey CTS">CTS: name -> inchikey</option>
51 <option value="casno smiles CIR">CIR: casno -> smiles</option> 57 <option value="casno smiles CIR">CIR: casno -> smiles</option>
52 <option value="inchi smiles CIR">CIR: inchi -> smiles</option> 58 <option value="inchi smiles CIR">CIR: inchi -> smiles</option>
53 <option value="inchikey casno CIR">CIR: inchikey -> casno</option> 59 <option value="inchikey casno CIR">CIR: inchikey -> casno</option>
54 <option value="inchikey formula CIR">CIR: inchikey -> formula</option> 60 <option value="inchikey formula CIR">CIR: inchikey -> formula</option>
55 <option value="inchikey inchi CIR">CIR: inchikey -> inchi</option> 61 <option value="inchikey inchi CIR">CIR: inchikey -> inchi</option>
56 <option value="inchikey smiles CIR">CIR: inchikey -> smiles</option> 62 <option value="inchikey smiles CIR">CIR: inchikey -> smiles</option>
57 <option value="smiles inchikey CIR">CIR: smiles -> inchikey</option> 63 <option value="smiles inchikey CIR">CIR: smiles -> inchikey</option>
64 <option value="compound_name casno NLM">NLM: compound_name -> casno</option>
65 <option value="compound_name formula NLM">NLM: compound_name -> formula</option>
66 <option value="compound_name inchikey NLM">NLM: compound_name -> inchikey</option>
58 <option value="inchikey casno NLM">NLM: inchikey -> casno</option> 67 <option value="inchikey casno NLM">NLM: inchikey -> casno</option>
68 <option value="inchikey compound_name NLM">NLM: inchikey -> compound_name</option>
59 <option value="inchikey formula NLM">NLM: inchikey -> formula</option> 69 <option value="inchikey formula NLM">NLM: inchikey -> formula</option>
60 <option value="inchikey name NLM">NLM: inchikey -> name</option> 70 <option value="compound_name canonical_smiles PubChem">PubChem: compound_name -> canonical_smiles</option>
61 <option value="name casno NLM">NLM: name -> casno</option> 71 <option value="compound_name formula PubChem">PubChem: compound_name -> formula</option>
62 <option value="name formula NLM">NLM: name -> formula</option> 72 <option value="compound_name inchi PubChem">PubChem: compound_name -> inchi</option>
63 <option value="name inchikey NLM">NLM: name -> inchikey</option> 73 <option value="compound_name inchikey PubChem">PubChem: compound_name -> inchikey</option>
74 <option value="compound_name isomeric_smiles PubChem">PubChem: compound_name -> isomeric_smiles</option>
75 <option value="compound_name iupac_name PubChem">PubChem: compound_name -> iupac_name</option>
76 <option value="inchi canonical_smiles PubChem">PubChem: inchi -> canonical_smiles</option>
77 <option value="inchi formula PubChem">PubChem: inchi -> formula</option>
78 <option value="inchi inchikey PubChem">PubChem: inchi -> inchikey</option>
79 <option value="inchi isomeric_smiles PubChem">PubChem: inchi -> isomeric_smiles</option>
80 <option value="inchi iupac_name PubChem">PubChem: inchi -> iupac_name</option>
81 <option value="inchi pubchemid PubChem">PubChem: inchi -> pubchemid</option>
82 <option value="pubchemid hmdbid PubChem">PubChem: pubchemid -> hmdbid</option>
83 <option value="pubchemid inchi PubChem">PubChem: pubchemid -> inchi</option>
84 <option value="chebiid chemspiderid BridgeDB">BridgeDB: chebiid -> chemspiderid</option>
85 <option value="chebiid hmdbid BridgeDB">BridgeDB: chebiid -> hmdbid</option>
86 <option value="chebiid pubchemid BridgeDB">BridgeDB: chebiid -> pubchemid</option>
87 <option value="chebiid wikidataid BridgeDB">BridgeDB: chebiid -> wikidataid</option>
88 <option value="chemspiderid chebiid BridgeDB">BridgeDB: chemspiderid -> chebiid</option>
89 <option value="chemspiderid hmdbid BridgeDB">BridgeDB: chemspiderid -> hmdbid</option>
90 <option value="chemspiderid pubchemid BridgeDB">BridgeDB: chemspiderid -> pubchemid</option>
91 <option value="chemspiderid wikidataid BridgeDB">BridgeDB: chemspiderid -> wikidataid</option>
92 <option value="hmdbid chebiid BridgeDB">BridgeDB: hmdbid -> chebiid</option>
93 <option value="hmdbid chemspiderid BridgeDB">BridgeDB: hmdbid -> chemspiderid</option>
94 <option value="hmdbid pubchemid BridgeDB">BridgeDB: hmdbid -> pubchemid</option>
95 <option value="hmdbid wikidataid BridgeDB">BridgeDB: hmdbid -> wikidataid</option>
96 <option value="pubchemid chebiid BridgeDB">BridgeDB: pubchemid -> chebiid</option>
97 <option value="pubchemid chemspiderid BridgeDB">BridgeDB: pubchemid -> chemspiderid</option>
98 <option value="pubchemid hmdbid BridgeDB">BridgeDB: pubchemid -> hmdbid</option>
99 <option value="pubchemid wikidataid BridgeDB">BridgeDB: pubchemid -> wikidataid</option>
100 <option value="wikidataid chebiid BridgeDB">BridgeDB: wikidataid -> chebiid</option>
101 <option value="wikidataid chemspiderid BridgeDB">BridgeDB: wikidataid -> chemspiderid</option>
102 <option value="wikidataid hmdbid BridgeDB">BridgeDB: wikidataid -> hmdbid</option>
103 <option value="wikidataid pubchemid BridgeDB">BridgeDB: wikidataid -> pubchemid</option>
64 </xml> 104 </xml>
65 105
66 </macros> 106 </macros>