Re: [phenixbb] FEM mtz won't open in coot

Thanks Michael, correct, as discussed this morning, auto-open in Coot will not work for FEM maps, you need to load them manually. Thanks for feedback! Pavel On 5/8/14, 8:38 AM, R.M. Garavito wrote:

Pavel,

Just to let you know, the auto-open function works fine on the FEM mtz in the Mac version. Makes a nice looking map which I am looking at now in the context of earlier maps.

Michael

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/R. Michael Garavito, Ph.D./

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On May 8, 2014, at 11:13 AM, Pavel Afonine mailto:[email protected]> wrote:

...

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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