X-ray structure of Actin Binding Proteins

zbyszek otwinowski zbyszek at cyberramp.net
Thu Apr 23 09:06:10 EST 1998


> 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





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