Dear CCP4BB users:
I have recently switched to use REFMAC5 instead of CNS in the final
refinement of a structure. The TLS method gave much better R/Rfree
values than did CNS (17/22 vs 25/28 at 2A).
In CNS there is a harmonic term to tether some specified atoms to
their original positions. I use this especially for water molecules.
Does REFMAC5 have a means to do the similar task?
Sincerely,
Ping Ko
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T z u - P i n g K o < [log in to unmask] >
Institute of Biological Chemistry
Academia Sinica, Nankang, Taipei 11529, Taiwan
Tel. +8862 2785 5696 ext 5011 FAX. +8862 2788 9759
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