The simple matrix weighting option (x-ray/restraints weight) is under
main refinement option and set automatically. Change that to manually
and you can put the value in if you want to avoid too many keywords.
There is even an option in advanced parameters to run several quick
refinements to get an idea which weight might be best. Of course this is
by far not as sophisticated as PDB-REDO.
Christian
Am 24.07.2017 um 23:41 schrieb Jon Agirre:
Dear Xu,
you can input those keywords in the text box under 'Advanced options'
in the 'refinement' task. Just make sure you click somewhere else
after you're done putting the keywords in in order to have the text
validated by the interface.
Best regards,
Jon
On 24 July 2017 at 23:01, Liu, Xu <xu....@emory.edu
<mailto:xu....@emory.edu>> wrote:
Hi,
In the new cpp4-7.0.042 (ccp4i2), where can I put in the weighting
factor for B factor restrain weight (the ‘WBSKAL' setting) and/or
x-ray terms relative to geometric restrains (the ‘MATRIX’ setting
) in refmac5? Basically I want to plug in those weighting factors
from pdbredo into REFMAC5 for a few more refinement but cannot
find in new ccp4.
Thanks!
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