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© IRL Press

Building structural models of peptides: a semi-automatic software

S. Morante and V. Parisi

Dipartimento di Fisica, Universita degli Studi di Roma ‘Tor Vergata’, Via E.Carnevale 00173 Roma, Italy

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We present a software package that allows the construction and display of structural models of proteins starting from the amino acid sequence written in the one-letter code of standard data bank format. The software includes a very fast and efficient algorithm aimed at finding the global energy minimum of the potential function describing the molecular interactions. The whole package is conceived to have maximum flexibility. Completely automatic procedures are envisaged for standard problems. For non-standard problems, the construction procedure can be interactively adopted to meet with different options.

Received on February 19, 1990; accepted on August 31, 1990

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