[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?
Pavel
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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