[phenixbb] Calculate F (model) + Calculate Map Correlation

Pavel Afonine pafonine at lbl.gov
Wed Jun 18 00:01:33 PDT 2014

Hi George,

hm.. not sure where to start.. I guess I'll need to see these two files 
to begin with.. Can you send me those, please?

However, I'm not sure I understand the rationale of what you are doing.. 
This is how I read what you do. So you take a PDB file and compute 
Fcalc_1 from it (native.mtz). Then you modify this file and compute 
Fcalc_2 from it (model.mtz). Then you are trying to compute CC(Fcalc_1, 
Fcalc_2). I'm really puzzled what's the use of this might be?


On 6/17/14, 11:22 AM, George Devaniranjan wrote:
> Hi,
> I am trying to use phenix and I was trying to do the following:
> Take a PDB, generate a MTZ file using Calculate F (model) and lets 
> call it
> native.mtz
> then change a few phi and psi values of the pdb (so its slightly 
> different from the native), run Calculate F (model)
> model.mtz
> Now I tried to calculate the CC of the two MTZ using Calculate Map 
> Correlation.
> I get the following:
> "Missing at least one map file or label"
> What am I doing wrong?
> Thank you,
> George

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