iAPBS Interface

iAPBS is a C/C++/Fortran interface to APBS, fast and powerful Poisson-Boltzmann equation solver. This interface enables access to most of APBS capability from within any C/C++ or Fortran code. In addition to the reference implementation, iAPBS/CHARMM and iAPBS/Amber modules are also available. These modules extend CHARMM and Amber functionality with APBS routines for electrostatic calculations.

Current version of the interface is 0.8.0 (ChangeLog). Please report any problems to rok@ucsd.edu.

Documentation

Documentation is available in html and pdf formats. This includes installation instructions for both Amber and CHARMM modules and how to use them, with examples.

Detailed description of the iAPBS wrapper library can be found in the Programmer's Guide (html or pdf).

Download

The iAPBS tarball: iapbs-0.8.0.tgz

NAMD/APBS interface (Beta)

NAMD/APBS interface is now working. When NAMD is linked with APBS via the interface, NAMD users can perform implicit solvent MD, write out electrostatic properties (as DX files), calculate solvation energies, etc.
Also very preliminary documentation is available.