[Chimera-users] minmize small molecule

Venkataraman Kabaleeswaran vkabs at yahoo.com
Mon Jul 6 10:35:30 PDT 2009


Hi 
I wanted to optimize the geometry of small molecule by minimization for docking. 

I have not seen any option in chimera but even I did tried with the small molecule I have as nonstandard aminoacid, but it give me error mmtrk could not Cu atom type.

Is it any small script or through chimera I could able to optimize the small molecule?
thanks

Kabaleeswaran Venkataraman

--------------------------------------------------------------
Arise, Awake and stop not until goal is Reached 
                                      - Swami Vivekananda
--------------------------------------------------------------



      
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20090706/5478f41c/attachment.html>


More information about the Chimera-users mailing list