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Project Description

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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2012-08-09 06:19 Back to release list
2012_08_07

The most important changes in this release are some improvements for VPG. A new form allows you to easily create a DSSP file from a PDB file, i.e., have the dsspcmbi program by Kabsch & Sander assign secondary structure information to the atom coordinates in the PDB file. Some fixes, rearranged menus, and new keyboard shortcuts for many VPG features are also new.

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