[phenixbb] Bug squash request
Antony.Oliver at sussex.ac.uk
Thu Jan 17 07:17:16 PST 2013
I've noticed a slightly annoying "feature" when using a reference model to help in refinement of low-resolution structures.
phenix.refine seems to take it's crystal parameters and space-group from whichever PDB was loaded last, even after setting one PDB as the "reference model" and the other as the "Input model".
When running phenix.refine it gives you a nice error message telling you that the space group information is incorrect, and that you may have used the reference model's parameters by mistake…
But surely, it should just (by default) only take (check?) the cell parameters and space group information from the "Input PDB"?
Dr Antony W Oliver
Senior Research Fellow
CR-UK DNA Repair Enzymes Group
Genome Damage and Stability Centre
Science Park Road
University of Sussex
Falmer, Brighton, BN1 9RQ
email: antony.oliver at sussex.ac.uk
tel (office): +44 (0)1273 678349
tel (lab): +44 (0)1273 677512
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