CRPC-TR97743						August 1997

Title: Real-Space Envelopes by the Connectivity Constraint: An Approach to
the Ab initio Macromolecular Phase Problem

Authors: Guangzhou Zou and George N. Phillips, Jr.

Submitted May 1998

Abstract:
An approach is proposed for the ab initio macromolecular crystallography
phase problem in which the information that proteins are make up of
connected chains of atoms is exploited by connectivity constraints. It is
show here that the simple forms of the connectivity constraint together
with the non-negativity constraint can generate approximate molecular
envelopes from the diffraction data. Examples with different solvent
contents, space groups, and numbers of molecules per asymmetric unit cell
were chosen to illustrate the applicability of the algorithms.

-------------------------------------------------------------------------------
Guangzhou Zou		George N. Phillips, Jr.
			georgep@rice.edu
Department of Biochemistry and Cell Biology
Rice University