[phenixbb] FEM mtz won't open in coot
R.M. Garavito
garavito at msu.edu
Thu May 8 08:38:51 PDT 2014
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
****************************************************************
R. Michael Garavito, Ph.D.
Professor of Biochemistry & Molecular Biology
603 Wilson Rd., Rm. 513
Michigan State University
East Lansing, MI 48824-1319
Office: (517) 355-9724 Lab: (517) 353-9125
FAX: (517) 353-9334 Email: garavito at msu.edu
****************************************************************
On May 8, 2014, at 11:13 AM, Pavel Afonine <pafonine at lbl.gov> 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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