Package ffx

@ParametersAreNonnullByDefault package ffx

Force Field X implements fixed charge and polarizable atomic multipole molecular mechanics potentials, local and global optimization, molecular dynamics, free energy differences, etc, with special support for crystal space groups.

Since:

1.0

Author:

Michael J. Schnieders

Related Packages

Package	Description
ffx.algorithms	The Algorithms package has support for local and global optimization, molecular dynamics simulations, and calculation of free energy differences.
ffx.crystal	The Crystal package implements space group symmetry and periodic boundary condition support.
ffx.numerics	The Numerics package has support for atomic double arrays, FFTs (1D and 3D), numerical integration (1D), complex numbers, vector operations, multipole tensors, multi-dimensional optimization, special functions, splines and switching functions.
ffx.openmm
ffx.potential	The Potential package implements molecular mechanics force fields with shared memory Parallel Java and via OpenMM.
ffx.realspace	The Real Space package implements real space structure refinement.
ffx.ui	The UI package provides views and controllers for manipulating molecular systems.
ffx.utilities	The Utilities package implements a variety of useful Directory, File, Port, String, etc functionality.
ffx.xray	The X-ray package implements support for X-ray and Neutron refinement.

Classes

Class	Description
HeadlessMain	The HeadlessMain class is the entry point to the command line version of Force Field X.
Main	The Main class is the entry point to the graphical user interface version of Force Field X.