multipipsa

PIPSA is a tool for the comparison of the electrostatic interaction properties of proteins. It permits the classification of proteins according to their interaction properties. The PIPSA similarity analysis procedure consists of several steps :

  • (0) preparation step - making a directory for similarity calculations and arranging pdb files there
  • (1) calculating protein interaction field grid
  • (2) calculating similarity matrix from pdb files and protein interaction field grids
  • (2a) adding additional protein(s) to an already processed set (without repeating previously done pair-wise similarity calculations)
  • (3) phylogenic tree anaysis or other visualisation
  • (4) correlate kinetic parameters with average interaction field differences The multipipsa python wrapper is designed to run Protein Interaction Properties comparisons on multiple sites of a protein (all CA atoms) and calculate scores according to Tong, Wade and Bruce, Proteins 2016; 84:1844-1858
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Source Code
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RCW NJB SR

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