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Re: [ccp4bb]: Conclusion of bulk solvent corrected fo-fc map
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The default values (for refmac5.1.24) are:
THERMAL FACTORS
Weight= 1.00
Main chain bond (1-2 neighbour) 1.50A**2
Main chain angle (1-3 neighbour) 2.00A**2
Side chain bond 3.00A**2
Side chain angle 4.50A**2
The looser parameter set is enabled by:
BFAC 1 5 6 6 7.5
which produces:
THERMAL FACTORS
Weight= 1.00
Main chain bond (1-2 neighbour) 5.00A**2
Main chain angle (1-3 neighbour) 6.00A**2
Side chain bond 6.00A**2
Side chain angle 7.50A**2
Mark
On Thursday, March 13, 2003, at 01:44 PM, wgscott@chemistry.ucsc.edu
wrote:
> Please let us know what weightings you are now using.
>
>
>> One definite conclusion (thanks to Ian Tickle) is that the default
>> B-factor restraints in refmac are definitely too tight (and incorrect
>> in the HTML documentation). Loosening them up ...
>
>
Mark DePristo
Ph.D. Candidate
Dept. of Biochemistry
Cambridge University
mdepristo@cryst.bioc.cam.ac.uk
http://www-cryst.bioc.cam.ac.uk/~mdepristo/