[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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