Hello,
this one is for Paul, but maybe it's worth discussing it on the list. If that
feature already exists, please let me know.
Would it make sense to down-weight the side chain atoms in real space
refinement? At low resolution I often find that the side chain atoms are dragged
into the density of where I suspect the main chain to run, and maybe this effect
could be avoided by downweighting the X-ray 'force' on the side chain atoms.
This might correspond to having different matrix values for main and side chain
atoms.
I am curious to hear comments about this idea.
Cheers, Tim
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Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
phone: +49 (0)551 39 22149
GPG Key ID = A46BEE1A
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