[Chimera-users] BCC CHARGES

[Elaine Meng]

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.
E
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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
>