Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] abze_v1_0.gz(25 Kbytes)|
|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|
|Keywords: Biology, Protein conformation, Energy minimization, Protein modelling.|
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.
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.
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.
Dependent on the size of the polypeptide chain and on the number of variable bond-torsion angles.
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