[Chimera-users] BCC CHARGES

Elaine Meng meng at cgl.ucsf.edu
Mon Feb 8 14:42:01 PST 2010

Hi E,
Sorry, Chimera does not calculate the molecular dipole moment.  It  
could be calculated from the point charges and atomic coordinates, but  
such a calculation hasn't been implemented.
Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco

On Feb 7, 2010, at 3:48 PM, emrys.fslife.co.uk wrote:

> Hi folks
> Is it possible(within Chimera) to get the dipole moment of
> low-molecular weight ligands alongside their calculated BCC atomic  
> charges?
> Best wishes
> E.Thomas

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