SDIWG:NCBC Software Classification MAGNet Examples

DelPhi

• Description: DelPhi provides numerical solutions to the Poisson-Boltzmann equation (both linear and nonlinear form) for molecules of arbitrary shape and charge distribution. The current version is fast (the best relaxation parameter is estimated at run time), accurate (calculation of the electrostatic free energy is less dependent on the resolution of the lattice) and can handle extremely high lattice dimensions. It also includes flexible features for assigning different dielectric constants to different regions of space and treating systems containing mixed salt solutions.
• Input (parameters & Data Types): DelPhi takes as input a coordinate file format of a molecule or equivalent data for geometrical objects and/or charge distributions
• Output Data (parameters & Data Types): electrostatic potential in and around the system
• Implementation Language: Fortran and C
• Version, Date, Stage: Stable public release
• Authors: E.Alexov, R.Fine, M.K.Gilson, A.Nicholls, W.Rocchia, K.Sharp, and B. Honig.
• Platforms Tested: Unix-SGI IRIX, linux, PC (requires Fortran and C compilers), AIX IBM version and Mac.
• License: Freely available to academia; pay model for commercial users.
• Keywords: Finite Difference Poisson-Boltzman Solver
• URL: http://trantor.bioc.columbia.edu/delphi