2 projects tagged "Graph theory"
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.
Hypercube is a graph visualization tool for drawing DOT (graphviz), GML, GraphML, GXL and simple text-based graph representations as SVG and EPS images. It comes with a Qt-based GUI application and a Qt-independent commandline tool. Hypercube uses a simulated annealing algorithm to lay out the graph, which can be easily parameterized to achieve the desired look.