Examples
- Convert glyco nomenclature of a sphingolipid into SMILES with defined n-acyl and sphingoid base
glycosphingotool convert "NeuAcalpha2-3Galbeta1-4GlcCer" --nacyl CCC --sphingoid "[C@H](O)/C=C/CC"
- Generate synthesis reactions for glyco nomenclature of a sphingolipid, generate reactions SMILES, RInChI and Web-RInChIKeys with defined n-acyl and sphingoid base
glycosphingotool generate "NeuAcalpha2-3Galbeta1-4GlcCer" --nacyl CCC --sphingoid "[C@H](O)/C=C/CC" --output-folder "NeuAcalpha2-3Galbeta1-4GlcCer"
- Process all the Excel file downloaded from SphingoMAP (the original link is currently broken at the original resource)
glycosphingotool process-all --output-folder 'results_SphingoMAP' --nacyl CCC --sphingoid "[C@H](O)/C=C/CCCCCC"
The source SphingomapkeyV1.4.xls can be found in src/glycosphingotool/assets
Release files for glycosphingotool 0.1.0
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Source distribution (sdist)
| File | Size | Uploaded | |
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| glycosphingotool-0.1.0.tar.gz | 8.7 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| glycosphingotool-0.1.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 19.0 kB
Release files / glycosphingotool-0.1.0.tar.gz
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| Size | 8.7 kB |
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Release files / glycosphingotool-0.1.0-py3-none-any.whl
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| Size | 10.3 kB |
| Tags | Python 3 |
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