Hi
I wanted to use some openbabel functionality in my java-based code, more
particularly the stereo-perception algorithm of Razinger, implemented in
OBStereoUnitSet
FindStereogenicUnits<http://openbabel.org/dev-api/group__stereo.shtml#gaebf264394d502844b99b1dbe031ea185>
(OBMol
*mol, const std::vector< unsigned int > &symClasses)"
I am quite interested in this method because i believe it's the only
implementation of the Razinger algo that is around.
So I looked at the java wrapper "openbabel.jar", but I couldn't find any
classes related to stereochemistry in there. Am I correct in saying that
this java wrapper does not include the entire openbabel project, but only a
set of core classes?
Does cinfony provide wrappers for the stereochemistry part of openbabel?
regards,
Nick
--
e-mail: nickvandewi...@gmail.com
phone: +32 478 46 18 56
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