Mercurial > repos > recetox > msmetaenhancer
comparison macros.xml @ 3:b48c57453a25 draft
"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 |
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| 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> |