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Manuscript Title: PLEC: a program for building, modelling and optimizing polypeptide structures.
Authors: M.L. Forcada
Program title: PLEC
Catalogue identifier: ABZE_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 64(1991)131
Programming language: Fortran.
Computer: IBM 9375/60.
Operating system: VM/CMS.
Word size: 32
Peripherals: disc.
Keywords: Biology, Protein conformation, Energy minimization, Protein modelling.
Classification: 3.

Nature of problem:
Building of a polypeptide chain from its amino acid sequence and a set of bond torsion angles; optimization of the structure by energy minimization and/or fitting to a known structure.

Solution method:
Multidimensional downhill simplex minimization of an energy-like function depending on the set of values of bond-torsion angles.

Fixed bond lengths and bond angles (rigid geometry); the program uses only the non-ionized forms of amino acids to build a neutral polypeptide chain.

Unusual features:
The program produces a final coordinate file which is compatible with the Brookhaven Protein Data Bank format, and which can be used easily for graphic representation.

Running time:
Dependent on the size of the polypeptide chain and on the number of variable bond-torsion angles.