[Chimera-users] bond order

[Barry Lever]

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?
>>
>>
>> -- 
>> ____________________________
>>
>> Daniel Gurnon, Ph. D.
>> Assistant Professor of Chemistry
>> DePauw University
>> Greencastle, IN 46135
>>
>> p: 765-658-6279
>> e: danielgurnon at depauw.edu <mailto:danielgurnon at depauw.edu>
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-- 
A. B. P. Lever
Distinguished Research Professor Emeritus
Chemistry, CB124, York University
4700 Keele St., Toronto, Ont.,
Canada M3J 1P3
Tel:416-736-2100 x22309
Fax: 416-736-5936
http://www.chem.yorku.ca/profs/lever