[phenixbb] phenix.mtriage output model-map
Pavel Afonine
pafonine at lbl.gov
Fri Jan 19 21:07:33 PST 2024
Hi Joe,
> I am new to Phenix and using the phenix.mtriage to get the map-model
> FSC results. It gives the correct results at the same time I also want
> to produce the mode-map used for the FSC calculation. Is there an
> option for this? If not how can I reproduce the same model-map with
> another phenix command?
at the moment phenix.mtriage does not have an option to output the
model-generated map. However, you can get such a map using a different
Phenix tool (in the command line). Example:
phenix.fmodel model.pdb high_res=3.2 scattering_table=electron
where model.pdb is the file with your atomic model, high_res specifies
resolution of the map, and scattering_table tells to use electron form
factors.
This will produce an MTZ file with the Fourier map that is calculated as
described in Section 2.1.1. here:
https://pubmed.ncbi.nlm.nih.gov/30198894/
Pavel
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