Electrostatics

APBSmem is a handy, Java-based graphical user interface specially designed to help you with Poisson-Boltzmann electrostatics calculations at the membrane. The Poisson-Boltzmann equation or PB describes the electrostatic environment of a solute in a solvent containing ions.


Platforms: Windows

PDB2PQR is a Python software package that automates many of the common tasks of preparing structures for continuum electrostatics calculations, providing a platform-independent utility for converting protein files in PDB format to PQR format.


Platforms: Windows, Mac, Linux

Force Field X is a group of open source (GPL v. 3), platform independent (Java Runtime Environment) modules for molecular biophysics. Key methods include: Polarizable AMOEBA force fields Particle-mesh Ewald electrostatics Generalized Kirkwood continuum electrostatics X-ray and neutron...


Platforms: Mac

APBSmem is a Java-based graphical user interface for Poisson-Boltzmann electrostatics calculations at the membrane. APBS version 1.2.0 or later is required. Features . Protein solvation . Ion solvation . Gating charge calculations


Platforms: *nix

Virtual Physics is a complete collection of programs that simulate diverse phenomena in the world of physics. Ideal for school students or experiment illustration, classes or concrete concepts. You can also use it at home to experiment and learn new things.Virtual Physics is divided into thirteen...


Platforms: Windows

The Ascalaph Quantum package provides interfaces to ab initio quantum mechanical packages NWChem, CP2K and PC GAMESS / Firefly. Quantum calculations are performed using the PC GAMESS program. FEATURES: Energy calculations : · Energy calculation mode is controlled by selecting the basis...


Platforms: Windows

APBS was designed as a software package for modeling biomolecular solvation through solution of the Poisson-Boltzmann equation or PBE. PBE is one of the most popular continuum models for describing electrostatic interactions between molecular solutes in salty, aqueous media. Continuum...


Platforms: Windows

The EJS Electric Field: What is Wrong? Package is a collection of models for electrostatics with errors intentionally built into each model. Users can move charges around and see the force, observe the electric field generated by charge configurations, and observe the motion of test particles in...


Platforms: Mac