Pavel Afonine wrote:
> Hi Ed,
>
> yes, this is the eight-point interpolation, but since you can select to
> choose very small grid step for the map calculation (grid_step
> parameter), I hope this should be ok. If necessary, I can add an option
> so it will give you the map value at the closest grid point instead of
> interpolation or even both (although I guess the latter would be too much).
What about doing the Fourier summation at the precise location requested,
in order to not calculate the map or interpolate at all?
Input would be the mtz file rather than map file.
eab
> In the next build (dev-728 and up) it will be possible to use a PDB file
> as a source of points.
>
> Pavel.
>
> On Tue, Apr 12, 2011 at 9:37 AM, Ed Pozharski <[log in to unmask]
> <mailto:[log in to unmask]>> wrote:
>
> On Fri, 2011-04-08 at 18:06 -0700, Pavel Afonine wrote:
> > phenix.map_value_at_point map_coeffs.mtz label="2FOFC" point="1 2 3"
> > point="4 5 6"
>
> Cool. Afaiu, this is interpolation. A useful extension would be
> automatic picking of (x,y,z) from a pdb-file (a la mapman), although a
> determined person can definitely come up with a script that converts a
> pdb file into a list of "point" statements.
>
> --
> "Hurry up before we all come back to our senses!"
> Julian, King of Lemurs
>
>
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