Dear all,
I have been working on the refinement of a crystal structure using
phenix.refine from the 1.12-2828-Intel-Linux-2.6 version of Phenix. I
have recently replaced my computer by a MacBook and I have upgraded
Phenix to the 1.18.2-3874-MacOs version. However, I found that the
refinement introduced an amazing huge amount of outliers, specially
C-beta and ramachandran.
The structure is at 2.5A resolution and I used the following
refinement strategy: XYZ coordinates, Real-space, Individual
B-factors, occupancies, X-ray/stereochemistry weight optimization, no
experimental phase restrain, automatic metal and ligand linking and
automatic correct N/H/Q errors. I also tried using TLS instead of
Indivudal B-factors, but the problems persist.
Does anybody know why this could be happening? Thanks a lot for your help!
Best,
Juan
########################################################################
To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1
This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list
hosted by www.jiscmail.ac.uk, terms & conditions are available at
https://www.jiscmail.ac.uk/policyandsecurity/
