[Open Babel] Minimize hydrogens only

2012-08-06 Thread Philipp Thiel
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 -- Philipp Thiel Diplom-Inform. (Bioinformatics) Chemical Genomics Centre of the MPG Otto-Hahn-Straße 15 D-44227 Dortmund Tel:

Re: [Open Babel] Minimize hydrogens only

2012-08-07 Thread Philipp Thiel
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 <>---