[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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