Crystallography pros,
Field-outsider asking for advice here.
Is there a standard way to estimate the electron density on a grid from an
atomic model (e.g. PDB coordinates of atoms)?
One thing that occurred to me was to simply FT the Cromer-Mann
atom-centered Gaussians commonly used to model atomic form factors. Perhaps
there is a more standard way, though? And possible code to mooch...?
Thanks much!
TJ
