Hi all, I've been using the Python openbabel module to create atomic coordinates based on molecule/bond information for mostly modified amino acids; this is all working fine except that I'm struggling to set the stereochemistry (and generate, for example, the correct cis/trans peptide bonds).
I was hoping someone has some examples (for the openbabel Python module) to set cis/trans and tetrahedral stereochemistry and is willing to share these; I haven't been able to find anything online. Thank you, Wim ------------------------------------------------------------------------------ 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
