24 Apr
2012
24 Apr
'12
2:44 p.m.
Hi Nikolay, You can write out Mol2 format, which includes a charge column (menu: File... Save Mol2, or command: write): <http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/savemodel.html#mol2> Regards, Elaine ---------- 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?
Sincerely, Nikolay Rodionov