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Re: [ccp4bb]: rigid body refinement in ccp4
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yes, rigid body refinement works fine in
ccp4.2/refmac5 For my case, R-factor converged well
after 12 cycle of refinement, starting from 44 to 36%.
sry, Im not sure what is wrong in your case.
cheers
kabaleeswaran
--- "Ingo P. Korndoerfer" <korndoerfer@wzw.tum.de>
wrote:
> *** 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)
>
>
>
>
=====
Dr.Kabaleeswaran Venkataraman
Arise Awake stop not till the Goal is Reached
-Swami Vivekananda
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