[phenixbb] FEM mtz won't open in coot

Paul Emsley pemsley at mrc-lmb.cam.ac.uk
Fri May 9 03:32:38 PDT 2014


On 08/05/14 16:01, de Waal, Parker wrote:
>
> Hello Everyone,
>
> I’m having trouble opening the map file generated by phenix.fem in 
> coot. Each time I try and load the .mtz file the follow error occurs 
> ‘Failed to find any suitable F/phi columns in the MTZ file’.
>
> Dumping the mtz file I can see:
>
> Col Sort Min Max Num % Mean Mean Resolution Type Column
>
> num order Missing complete abs. Low High label
>
> 1 NONE 0 33 0 100.00 12.1 12.1 114.15 3.31 H H
>
> 2 NONE 0 33 0 100.00 12.8 12.8 114.15 3.31 H K
>
> 3 NONE 0 137 0 100.00 51.4 51.4 114.15 3.31 H L
>
> 4 NONE 0.0 10551.1 22963 71.24 406.13 406.13 39.60 3.31 F 2mFoDFc
>
> 5 NONE -180.0 180.0 22963 71.24 0.98 89.81 39.60 3.31 P PHI2mFoDFc
>
> 6 NONE 5.2 51589.8 0 100.00 1602.72 1602.72 114.15 3.31 F FEM
>
> 7 NONE -180.0 180.0 0 100.00 0.32 89.74 114.15 3.31 P PHIFEM
>
> If someone could help me to rename these columns to a coot friendly 
> format so that I would be greatly appreciative.
>
>

This doesn't answer your question, but you can add the following to your 
~/.coot.py file:

set_auto_read_column_labels("FEM", "PHIFEM", 0)

Then Auto-Open will work.

Paul.



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