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Visualization of Protein Ligand Graphs (VPLG) uses a graph-based model to describe the structure of proteins on the super-secondary structure level. A protein-ligand graph is computed from the atomic coordinates in a PDB file and the secondary structure assignments of the DSSP algorithm. In this graph, vertices represent secondary structure elements (SSEs, usually alpha helices and beta strands) or ligand molecules, while the edges model contacts and relative orientations between them. The graphs can be visualized, written to a database, and saved in a text-based file format.

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2012-04-27 06:01 Back to release list
2012_04_17

This version comes with many fixes and some new features for both splitpdb and plcc: support for deleting a protein from the database; splitdb support for gzipped input PDB files and writing gzipped output files; database layout changes and fixes; and work on similarity methods for protein graphs. It adds computation of a spatial vertex ordering of a graph if possible for the graph; based on this vertex ordering, the KEY notation from the Protein Topology Graph Library can also be computed.
Tags: Beta

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