[ccp4bb]: Refmac5 refi bref ISOT

[David Buckler <buckler@cabm.rutgers.edu>]

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Dear All,

I'm using Refmac5 through the ccp4i-1.2.7 implementation of
ccp4-4.1.1.

I specified isotropic B refinement ("refi bref ISOT") using a PDB
input file that had values for ANISOU.
I note that the ANISOU values in the output PDB file were nonetheless
changed after the cycle.

1. Does this mean that anisotropic refinement is still performed (I
thought this only true for "refi bref MIXED or ANIS")?
2. Should the input PDB be stripped of all ANISOU records even if
"refi bref ISOT" is specified?

Thanks for any help -- David



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David R. Buckler

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