[Chimera-users] Charge data
meng at cgl.ucsf.edu
Tue Apr 24 14:44:10 PDT 2012
You can write out Mol2 format, which includes a charge column (menu: File... Save Mol2, or command: write):
Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
On Apr 24, 2012, at 12:48 PM, Nikolay Igorovich Rodionov wrote:
> Hi everyone,
> I know chimera does not produce PQR files, but I was wondering if it is possible to create a data text file with the atoms’ three dimensional coordinates and charges after applying the amber forcefield?
> Nikolay Rodionov
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