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