[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
[ccp4bb]: rigid body refinement in ccp4
*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
hello,
could anybody confirm, that rigid body refinement
in ccp4i/refmac5 does work ?
in ccp4-4.1 i always got too many 'zero or negative things'
(whatever that means ...).
so i went to the 'competition' (cns) and did my work there.
now, in ccp4-4.2, i get NO changes in R-factor whatsoever
in the 4th decimal. epmr does have a good rigid body
refinement routine buit in. but NO changes in the 4th
decimal ... (except in the first cycle, where there is a tiny
jump)? and nothing else that looks
suspicious in the log file - at first glance, that is ...
of course, i can go to cns, again, but i am getting
somewhat curious now, what my problem might be ...
haven't dug around in the command scripts yet, everything
done from ccp4i.
greetings
ingo
--
Ingo P. Korndoerfer
Dept. of Biological Chemistry
Technische Universitaet Muenchen
An der Saatzucht 5
D-85350 Freising Weihenstephan
phone : +49 (8161) 71-3255 (desk)
+49 (8161) 71-5167 (computing)
fax : +49 (8161) 71-4352
e-mail : korndoerfer@wzw.tum.de (work related)
ingo@wzw.tum.de (private)