Thank you so much, you've helped me a lot within the last week. I have one more question, is it possible to set a new origin for the axis? I have a helical molecule which was built from HETAM transformations so the origin is at the located in the center of the original molecule. I would like the move the origin to the center of the helix. Nikolay Rodionov -----Original Message----- From: Elaine Meng [mailto:meng@cgl.ucsf.edu] Sent: Tuesday, April 24, 2012 2:44 PM To: Nikolay Igorovich Rodionov Cc: chimera-users@cgl.ucsf.edu Subject: Re: [Chimera-users] Charge data 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