CCL Home Page
Up Directory CCL 634.html
QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section12


634. SEAL: An Alternate Method for the Alignment of Molecular Structures

by Simon K. Kearsley and Graham M. Smith, Merck Sharp & Dohme Research Laboratories, Rahway, New Jersey, and West Point, Pennsylvania, respectively

Converted to Silicon Graphics by Tome Wiese, Department of Biochemistry, Wayne State University School of Medicine, Detroit, Michigan 48201

This package consists of three separate programs:

* PRESEAL * SEAL * POSTSEAL

The PRESEAL program is for input preparation. The POSTSEAL program is for output analysis. SEAL accomplishes the actual calculation.

SEAL is based on the SEA program (QCPE 567) and depends on this program to do much of the basic calculation. SEA stands for Steric and Electrostatic Alignment. The difference is that SEAL uses a new algorithm for alignment when using the information produced by SEA. The SEA program is contained in this package, and the intent is for SEAL to replace it for all practical purposes.

Lines of Code: 3435 FORTRAN 77 (Silicon Graphics)



Computational Chemistry List --- QCPE Main --- About This Site
Modified: Fri Nov 20 02:29:34 2009 GMT
Page accessed 16 times since Tue Dec 23 04:02:07 2025 GMT