That is exactly what HYDENS is doing. A good interpolation with small
grid steps should be equally good but with current computers and just a
few hundred or even thousand points to evaluate, a classical Fourier
summation is pretty fast and, for me, easier to program than a proper
cubic-spline interpolation.
Bart
On 11-04-12 08:54 PM, Edward A. Berry wrote:
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 <epozh...@umaryland.edu
<mailto:epozh...@umaryland.edu>> 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
--
============================================================================
Bart Hazes (Associate Professor)
Dept. of Medical Microbiology& Immunology
University of Alberta
1-15 Medical Sciences Building
Edmonton, Alberta
Canada, T6G 2H7
phone: 1-780-492-0042
fax: 1-780-492-7521
============================================================================
