gbirr...@bidmc.harvard.edu
Betreff: RE: [ccp4bb] about comparing Rwork and Rfree factors of
different refinement trials
An: j.scho...@yahoo.de
Datum: Donnerstag, 25. Februar, 2010 17:12 Uhr
*
* *
*You can fix the TLS parameters as well. *
*Zero cycles of Refmac and fixed TLS*
.2010:
*
*
Von: gbirr...@bidmc.harvard.edu
Betreff: RE: [ccp4bb] about comparing Rwork and Rfree factors of
different refinement trials
An: j.scho...@yahoo.de
Datum: Donnerstag, 25. Februar, 2010 17:12 Uhr
*
* *
*You can fix the TLS parameters as well. *
converged refinement, you can (e.g.) just do a
0-cycle run of restrained refinement in Refmac with fixed TLS tensors (if
applicable).
Cheers,
Robbie Joosten
Date: Thu, 25 Feb 2010 14:38:02 +
From: j.scho...@yahoo.de
Subject: [ccp4bb] about comparing Rwork and Rfree factors of different
Dear Jan,
an initial increase in Rfree usually means, that either, in case of
isomorphous crystal forms, the structure was refined before against a
different test set, or, in case of completely different crystal forms,
that you have a new test set. In both cases, Rwork and Rfree for the
initi
Dear all,
I do have a question about comparing Rfree and Rwork factors of different
refinement trials whereas I always started with the same pdb file and structure
factors (phasing by MR).
Means I had a protein structure which was (not just by me) refined several
times in different ways also wi
