Hi,
In a previous discussion I thought it was hinted that the helix-place
routine set the occupancy of CB to zero and this affected the RS fitting.
Not sure if I got this right.
A quick test with RS fitting an extended ligand (that is partially defined
by density) did not seem to be affected by setting disordered atoms to zero
occupancy i.e. they were still dragged to spurious noise peaks and as a
consequence perturb the ordered region.
Would it be possible to also extend the zero occupancy negation to all RS
fitting?
cheers
Raj
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