Subject: Potential from experimental density?

From: Richard Gillilan <[email-masked]>
Date: Wed, 15 Dec 1999 09:56:10 -0500

It seems like it should be possible to compute an approximate "experimental" electrostatic potential
of a protein given the electron density from diffraction data and assuming
point charges on the nuclei. Surely this has been tried by someone?

Richard Gillilan
Cornell Theory Center