Following the documentation on:
http://code.google.com/p/rdkit/wiki/DatabaseCartridgeReferenceDocumentation
<http://code.google.com/p/rdkit/wiki/DatabaseCartridgeReferenceDocumentation>I
can see no obvious way how to calculate rotatable bonds per molecule through
the database cartridge.
If there isn't a way: how difficult would it be to add this myself? (I need
this info through sql so I can just use it in my queries).
Presumably RDkit already does this: and it is just missing on the DB API.
Correct?
Where do I start?
Cheers
JP
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