[phenixbb] FEM mtz won't open in coot

Pavel Afonine pafonine at lbl.gov
Thu May 8 08:13:05 PDT 2014


Hi Parker,

this requires loading map manually (not using auto-open, as Nat pointed 
out):

Start Coot ->
File ->
Open MTZ, mmCIF, fcf or phs ->
Choose file fem.mtz or whatever you called it, hit Open ->
In popped menu "Column Label Assignment" choose:
Amplitudes: FEM
Phases: PHIFEM
-> hit OK

Contouring at 1sigma is universally good. Going down to 0 should not 
change the appearance much.

Pavel

On 5/8/14, 8:01 AM, 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.
>
> Best,
>
> Parker
>
>
>
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