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Protein Engineering vol. 8 no. 2 pp. 127-134, 1995
© 1995 Oxford University Press


RESEARCH-ARTICLE

LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions

Andrew C. Wallace1, Roman A. Laskowski and Janet M. Thornton

Biomolecular Structure and Modelling Unit, Department of Biochemistry and Molecular Biology, University College, Gower Street, London WC1E 6BT, UK

1To Whom correspondence should be addressed

The LIGPLOT program automatically generates schematic 2-D representations of protein-ligand complexes from standard Protein Data Bank file input The output is a colour, or black-and-white, PostScript file giving a simple and informative representation of the intermolecular interactions and their strengths, including hydrogen bonds, hydrophobic interactions and atom accessibilities. The program is completely general for any ligand and can also be used to show other types of interaction in proteins and nucleic acids. It was designed to facilitate the rapid inspection of many enzyme complexes, but has found many other applications

Keywords: enzyme inhibitors/hydrogen bonding/protein-ligand interactions/software tools

Received September 15, 1994; revised December 6, 1994; accepted December 19, 1994.


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