Hi there,
I am using OpenBabels C++ API to minimize ligands and I was wondering if
there's a possibility to minimize hydrogens only?
Kind regards,
Philipp
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Philipp Thiel
Diplom-Inform. (Bioinformatics)
Chemical Genomics Centre of the MPG
Otto-Hahn-Straße 15
D-44227 Dortmund
Tel:
ddAtomConstraint) on the non-hydrogen atoms.
--
Philipp Thiel
Diplom-Inform. (Bioinformatics)
Chemical Genomics Centre of the MPG
Otto-Hahn-Straße 15
D-44227 Dortmund
Tel:+49-231-1332729
Fax:+49-231-1332797
eMail: philipp.th...@cgc.mpg.de
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