AndrewCRMartin / surfacematch

Simple surface matching using Lesk's graph matching algorithm

Geek Repo:Geek Repo

Github PK Tool:Github PK Tool

SurfaceMatch

(c) 1993 Andrew C.R. Martin

SurfaceMatch is a simple pair of programs for trying to match two surfaces for guiding docking. It was written while self-employed and visiting DKfz.

surface takes a PDB file and generates a list of surface features. Optionally it can take a file containing residue ranges to restrict the analysis to part of the protein surface.

match takes two output files from surface. The first is a pattern from one structure which is searched across the pattern of the second structure. The first pattern will be smaller than the second. For example, the first might be a peptide or ligand being searched against a protein. Alternatively, the first might be likely contact residues in the CDRs of an antibody being searched against an antigen.

Compilation

You must install BiopLib (http://www.bioinf.org.uk/software/bioplib) and can then simply run the compile.sh script.

About

Simple surface matching using Lesk's graph matching algorithm

License:GNU General Public License v3.0


Languages

Language:C 99.6%Language:Shell 0.4%