Is that also how you would restrain refinement at low resolution when
using a high-resolution model? (e.g. a 1.8A model into 4A data)
phx.
Garib Murshudov wrote:
In newer version of refmac you can use harmonic restraints.
Take the new stable version of refmac from
www.ysbl.york.ac.uk/YSBLPrograms/index.jsp
and use harmonic restraints as described in:
http://www.ysbl.york.ac.uk/~garib/refmac/data/refmac_news.html
<http://www.ysbl.york.ac.uk/%7Egarib/refmac/data/refmac_news.html>
Keyword is:
external harmonic residues from [residue_number] [chain_name] to
[residue_number] [chain_name] sigma [value] sigma 0.1
With the current ccp4i version you can use developers option and add
an external keyword file that contains this keyword for residues you
want to fix.
I hope it helps.
Garib
On 4 Apr 2008, at 00:39, U Sam wrote:
How one can fix position of few residues when refining in SHELX or
Refmac5.
Thanks. Sam.
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