I've had good luck using the CCP4 DM program PARROT to improve poor
initial MR maps with twinned data. (Based on some suggestions from this
bb.) I think it works especially well if you have a lot of NCS symmetry,
but it's worth a try, and doesn't take long.
Cheers,
_______________________________________
Roger S. Rowlett
Gordon & Dorothy Kline Professor
Department of Chemistry
Colgate University
13 Oak Drive
Hamilton, NY 13346
tel: (315)-228-7245
ofc: (315)-228-7395
fax: (315)-228-7935
email: rrowl...@colgate.edu
On 9/23/2013 9:01 PM, Klaus Piontek wrote:
I would try phase improvement, especially since you have
two molecules per a.u. In other words averaging, solvent
flattning, histogram matching. The best way is to start at
low(er) resoltuion and extend to the highest resolution
vailable. The best criterium for success is a improved and
interpretable map.
I had quite some success with this appraoch with MR
solutions, but uninterpretable or difficult to build maps.
Good luck,
Klaus
Dr. Klaus Piontek
Albert-Ludwigs University Freiburg
Institute of Organic Chemistry and Biochemistry, Room 401 H
Albertstrasse 21
D-79104 Freiburg
Germany
Phone: ++49-761-203-6036
Fax: ++49-761-203-8714
Email: klaus.pion...@ocbc.uni-freiburg.de
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