Dear jmol-users,
>From a previous chain of mails, I found that I could color code atoms by
coordination number using a combination of the CONNECT command (for bin
size) and the {bondCount = CN} command for a 10000 atom system.
This is extremely useful for molecules but fails for systems with periodic
boundary conditions (say an MD run with PBCs) as the atoms on the edge
always have a lower coordination than the ones in the center of the
boundarybox. I was wondering if there was a way to first tell Jmol that
the system is periodic in 2/3 dimensions (or construct a pseudo 2 2 1 kind
of system) and then calculate a bondcount in the original boundarybox? I
have tried the UNITCELL and SLAB commands with no luck. Any help is
appreciated.
I hope the question is clear enough.
Thanks
Regards
Sridhar
------------------------------------------------------------------------------
Everyone hates slow websites. So do we.
Make your web apps faster with AppDynamics
Download AppDynamics Lite for free today:
http://p.sf.net/sfu/appdyn_sfd2d_oct
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
