[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
[ccp4bb]: Amore FITing with different scale factors for each molecule
- To: CCP4 bulletin board <CCP4BB@dl.ac.uk>
- Subject: [ccp4bb]: Amore FITing with different scale factors for each molecule
- From: Edward Berry <eaberry@lbl.gov>
- Date: Fri, 31 Mar 2000 15:18:00 -0800
- Organization: Lawrence Berkeley Laboratory
- Sender: owner-ccp4bb@dl.ac.uk
*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html ***
Dear CCP4'ers,
Is it possible to have amore refine separate scale factors for
each molecule when FITing with multiple molecules? I'd like to
have a way to quickly refine ocupancy of a domain which has
multiple positions (relative to the immobile rest of the protein)
but since the positions may be slightly different from crystal
to crystal I'd like to include rigid-body refinement for each
domain, and I thought Amore FITing might be an elegant way to do it
(with molecule 1 being the fixed parts and molecule 2 the mobile part
in several different positions, each of which would have occupancy
(scale factor) less than 1). Or is there another program which does
this?
Thanks,
Ed
--
Edward A. Berry, MailStop 3-250
Lawrence Berkeley National Laboratory
1 Cyclotron Road, Berkeley, CA 94720
Phone: +1-510-486-4335
Fax: +1-510-486-6059
Jfax +1-530-323-9836 (you send fax, I receive email)
e-mail: EABerry@lbl.gov