> I’m trying to make polymer structure using Avogadro. After creating unit cell > for the monomer unit when I try to create super cell, all the double bonds > become single bonds. Please let me know what could go wrong. Is this the > right way to create a polymer structure?
At the moment, the code does not attempt to detect multiple bonds across unit cell boundaries. (In fact, I'd be curious to know what polymer you're building that has a double bond across the repeat boundary.) Hope that helps, -Geoff ------------------------------------------------------------------------------ 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
