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: +49-231-1332729 Fax: +49-231-1332797 eMail: philipp.th...@cgc.mpg.de
<<attachment: philipp_thiel.vcf>>
------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
_______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
