swMATH ID: 14198
Software Authors: C. Bajaj
Description: QTM (Quality Triangle/Tetrahedral Meshes) constructs quality meshes for implicit solvation models of biomolecular structures starting from atomic resolution data in the Protein Data Bank (PDB). A smooth volumetric electron density map is constructed from atomic data using weighted Gaussian isotropic kernel functions and a two-level clustering technique. A modified dual contouring method is used to extract triangular meshes for the surface, and tetrahedral meshes for the volume inside or outside the molecule within a bounding sphere/box of influence. Geometric flow techniques are used to improve the surface and volume mesh quality.
Homepage: http://www.cs.utexas.edu/~bajaj/cvc/software/QTM.shtml
Related Software: LBIE; SYNAPS; APBS
Cited in: 3 Publications

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