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iAPBS: a programming interface to Adaptive Poisson-Boltzmann Solver (APBS)

, : iAPBS: a programming interface to Adaptive Poisson-Boltzmann Solver (APBS). Computational Science & Discovery 5(1): -

The Adaptive Poisson-Boltzmann Solver (APBS) is a state-of-the-art suite for performing Poisson-Boltzmann electrostatic calculations on biomolecules. The iAPBS package provides a modular programmatic interface to the APBS library of electrostatic calculation routines. The iAPBS interface library can be linked with a FORTRAN or C/C++ program thus making all of the APBS functionality available from within the application. Several application modules for popular molecular dynamics simulation packages - Amber, NAMD and CHARMM are distributed with iAPBS allowing users of these packages to perform implicit solvent electrostatic calculations with APBS.


PMID: 22905037

DOI: 10.1088/1749-4699/5/1/015005

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