Dear Kornelius, you can find the answer here
https://www.phenix-online.org/newsletter/CCN_2015_07.pdf#page=12
example 5.
The example is crambin: crambin displays amino acid heterogeneity
at position 22(Pro or Ser) and 25 (Leu or Ile).
However atoms overlapping (crambin)
crashes Coot until you add
allow_duplicate_sequence_numbers()
to $HOME/.coot.py in OSX or the appropriate place on
Windows. For Windows, as there is
no $HOME, Coot uses .coot.py or .coot-preferences/ directory for
configuration - these can be found (added to) the directory in
which Coot was installed (e.g. C:\WinCoot).
Best regards, Georg.
Am 12.04.2017 um 17:57 schrieb
Kornelius Zeth:
Dear all,
I’m trying to refine the occupancy and
position of two co-factors iron (III) and FEO (Fe-O-Fe) in a
crystal structure. The iron (III) is placed with some
occupancy on one of the iron positions in FEO. If I refine
them together in Phenix with low occ phenix.refine moves the
atoms apart. What is the best way of dealing with this
problem?
Thanks and best wishes
Kornelius
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