Hi,
I have been testing some of the work flows that Paolo has exemplified here
https://github.com/rdkit/rdkit/commit/b1acab59b02425d61151db7313ea024eebcfd9f5
but the Sanitize command produces an AttributeError.
-------------------------------------------------------
>>> from rdkit import Chem
>>> from rdkit.Chem import AllChem
>>> m = Chem.MolFromSmiles("O=C(C)c1cccnc1", False)
>>> AllChem.SanitizeMMFFMol(m)
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
AttributeError: 'module' object has no attribute 'SanitizeMMFFMol'
-----------------------------------------------------------------------
My RDKit installation went fine on Centos 6.4 (with anaconda and boost 1.49)
with no errors after the ctest.
Has anybody any ideas what could be wrong or where to look further?
Thanks in advance
Basil
-----------------------------------------
Basil Hartzoulakis, PhD
Chemiverse Ltd
email: ba...@drugdesigner.net
linkedin: http://uk.linkedin.com/in/drugdesigner
Skype: vasileios.hartzoulakis------------------------------------------------------------------------------
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