> Does anybody know about a publically available tool
> which is able to convert a given electron density
> on a grid to a set of gaussian functions that
> approximate the 'grid-density-values' within
> a certain tolerance.
>
Any program that automatically interprets electron density
will do it, so any program that determines small molecule
structure will be OK. You are asking for real space
interpretation + refinement program that does not restrain
atoms. If somebody did this, adding full unrestrained
crystallographic refinement is not a big task, so search rather
for this category of programs.
Zbyszek Otwinowski
