Macromolecular Calculations for the XTAL-System of Crystallographic Programs

Abstract

During the last year effort has been concentrated on the adaption of the constrained refinement programs. PROTIN & PROLSQ to the XTAL system of crystallographic programs. The checking and documentation of programs for maximum entropy density calculations has been completed, programs MERUN, MEDENS, MEFFIT. Two new programs for modifying and manipulating electron density functions, CONVOL and FOGNU have been coded and documented. The generation of a test deck of idealized macromolecular data has been undertaken. Keywords: Macromolecular crystallography, Protein, Crystallography, Crystallographic computing, Computing, Molecular biology.

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Document Details

Document Type
Technical Report
Publication Date
Jun 01, 1989
Accession Number
ADA208272

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  • James M. Stewart

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  • University of Maryland

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  • Biochemistry
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  • Chemistry

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