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