> In View > Properties > Bond Properties: The entry Rotatable for the > bonds in the molecule I can not change to Yes
At the moment, Avogadro directly uses Open Babel's definitions of possibly rotatable bonds for automated conformer searching. Several people have legitimately asked about manually setting bonds for conformer searching. I have a basic interface in mind, but haven't had a chance with a pile of papers and grants to write. If someone were interested, I could talk them through coding. In short, something along these lines should come in the next few months, but is not yet possible. Hope that helps, -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: geo...@pitt.edu web: http://hutchison.chem.pitt.edu/ ------------------------------------------------------------------------------ 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/ _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
