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
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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
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