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SELECT openeye.enumerate_tautomers('O=C1NN=Cc2cocc12'); | |
enumerate_tautomers | |
--------------------------------------- | |
'{O=c1[nH]ncc2c1coc2,Oc1nncc2c1coc2}' | |
(1 row) |
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In [ 1]: from credo.credoscript import * | |
# Fetch a structure from a database with the corresponding adaptor | |
In [ 2]: s = StructureAdaptor().fetch_by_pdb('3CS9') | |
# Database columns are mapped as attributes | |
In [ 3]: s.title | |
Out[ 3]: 'Human ABL kinase in complex with nilotinib' | |
# Relationships with other entities are mapped as attributes as well |
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