Hi Ethan,
if you want you can specify and refine both f' and f'' for any
user selected atoms in phenix.refine:
http://www.phenix-online.org/download/
Cheers,
Paul
On Aug 11, 2007, at 9:48 PM, Ethan A Merritt wrote:
On Saturday 11 August 2007 21:41, Miller, Mitchell D. wrote:
Hi Ethan,
I have been wanting a way to instruct refmac to accept a user-
defined
f' term since about forever.
According to Garib's latest release notes, a command was
added to refmac 5.3.0015 and later to allow f' to be specified.
I have not tried it myself yet.. see
http://www.ysbl.york.ac.uk/~garib/refmac/data/refmac_news.html
"Anomolous form factors
anom formfactor [Name] [f'] [f'']
It will modify form factor of the given atom and use f' part only"
<goes off to install a newer refmac version/>
Thanks,
Ethan
--
Paul Adams
Senior Scientist, Physical Biosciences Division, Lawrence Berkeley
Laboratory
Adjunct Professor, Department of Bioengineering, U.C. Berkeley
Head, Berkeley Center for Structural Biology
Deputy Principal Investigator, Berkeley Structural Genomics Center
Building 64, Room 248
Tel: 510-486-4225, Fax: 510-486-5909
http://cci.lbl.gov/paul
Lawrence Berkeley Laboratory
1 Cyclotron Road
BLDG 64R0121
Berkeley, CA 94720, USA.
--
