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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