phenix.map_value_at_point: tool to compute map value at a given point.

Inputs:
  • MTZ file containing Fourier map coefficients or real-space map;
  • coordinates of points at which the map value will be computed can be defined in two ways: either providing a triplet of xyz coordinates using 'point' keyword, or giving a PDB file iin which case the atomic coordinates will serve as points;
  • optionally the 'grid_step' can be specified. It defines the map calculation grid step in case Fourier map is provided
  • optionally, type of map scaling can be defined: sigma or volume scaled (sigma is the default). Only used if Fourier map is provided.
Usage examples:
  1. phenix.map_value_at_point map_coeffs.mtz point="0.5 1.2 3" point="0.53 3.3 2.5"
  2. phenix.map_value_at_point map_coeffs.mtz model.pdb miller_array.labels.name="FMODEL"
  3. phenix.map_value_at_point map.mrc model.pdb point="1 2 3"

IMPORTANT: point must be a triplet of Cartesian coordinates (not fractional)!

Output:
list of map values at specified points.