8 Feb
2010
8 Feb
'10
10:42 p.m.
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 ----- 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