Hi Ed, yes, this is one of possible ways of doing this. Although I doubt it will make any (significant) difference in practice compared to other options. All mentioned methods should normally result in similar values.
Pavel. On Tue, Apr 12, 2011 at 7:54 PM, Edward A. Berry <ber...@upstate.edu> 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 >> >> >>
