[Chimera-users] BCC CHARGES
meng at cgl.ucsf.edu
Mon Feb 8 14:42:01 PST 2010
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
> Best wishes
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