aschreyer

SELECT openeye.enumerate_tautomers('O=C1NN=Cc2cocc12');
 
          enumerate_tautomers        
---------------------------------------
 '{O=c1[nH]ncc2c1coc2,Oc1nncc2c1coc2}'
(1 row)

aschreyer

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