Hi Ralf, Thanks for the answer. Apparently, I didn't read too carefully :) It has almost everything except LLG (total) and LLG (free). Is it possible to output those? Jianghai +++++++++++++++++++++++++++++++ Jianghai Zhu, Ph.D CBR Institute for Biomedical Research Department of Pathology Harvard Medical School 200 Longwood Ave., Boston, MA 02115 Ph: 617-278-3211 Fx: 618-278-3232 +++++++++++++++++++++++++++++++ On May 16, 2007, at 4:50 PM, Ralf W. Grosse-Kunstleve wrote:
Hi Jianghai,
There are two comprehensive sections with statistics of all kinds (I think everything you're asking for):
In the log file:
================= overall refinement statistics: step by step =================
And similar information in REMARK records in the output .pdb file:
REMARK ****************** REFINEMENT STATISTICS STEP BY STEP ******************
Please let us know if you are interested in additional statistics.
Ralf _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb