People interested in generating bond orders and displaying them in Chimera might contact Serge Gorelsky and use his AOMIX family of programs http://www.sg-chem.net/ Cheers barry Eric Pettersen wrote:
Hi Dan, Despite the fact that Chimera computes atom types, it does not explicitly compute bond orders. Internally it does compute bond orders in ring systems in order to do the best job it can judging aromaticity, but those computations aren't preserved once aromaticity is decided on. So I guess the short answer is no, since we don't have easy access to the bond order.
--Eric
Eric Pettersen UCSF Computer Graphics Lab
On Oct 16, 2009, at 11:41 AM, Dan Gurnon wrote:
I was wondering if there are plans to enable the display of bond order in ball and stick mode?
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Daniel Gurnon, Ph. D. Assistant Professor of Chemistry DePauw University Greencastle, IN 46135
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