资 源 简 介
Soesa is a program for use in evaluating and refining atomic models of
protein structures. The program calculates an estimated prior
probability of the interatomic distances in the structure by reference
to an interatomic distance probability density function (PDF) database
compiled from known structures. It also calculates derivatives with
respect to atomic position vectors for use in molecular dynamics
simulations and structure refinement.
See the following article for a description of the application of
soesa to crystallographic refinement:
Michael E. Wall, Shankar Subramaniam, and George N. Phillips,
Jr. Protein structure determination using a database of interatomic
distance probabilities. 1999. Protein Science 12:2720-27.
