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November 2023

16 participants
12 discussions

Automated estimation of voxel size using reference pixel size in phenix?
by Oliver Clarke 13 Nov '23

13 Nov '23

Hi, In cryoEM, the pixel size is often not known with certainty, and we need to calibrate it by measuring the real space correlation of a reference crystal structure of a component at different nominal pixel sizes. Currently we do this manually, using `fitmap` in UCSF Chimera, but given the sophisticated set of tools in Phenix for fitting atomic models and analyzing real space correlations, I was wondering if a tool in Phenix already exists to do this, or whether there would be any interest in adding such a tool at some point? Cheers Oli

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an atom moves away during model refinement
by Dmitry Semchonok 07 Nov '23

07 Nov '23

Dear colleagues, While refining my model, the Mg atom for some of the margin units moves far away from them. I am also using the ELBOW files of Mg during the refinement. What is the way to restrict the movement of atoms during refinement? I found that this behaviour can be observed after simulated annealing is on. And the harmonic_restraints may be acquired to restrict atom movement. Is that right? I am using the GUI version of Phenix, and I cannot see those parameters. Thank you. Sincerely, Dmitry

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