Package ffx.realspace

@ParametersAreNonnullByDefault package ffx.realspace

The Real Space package implements real space structure refinement.

Since:

1.0

Author:

Michael J. Schnieders

Related Packages

Package	Description
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.
ffx.realspace.cli	The Real Space CLI package defines options for PicoCLI command line scripts.
ffx.realspace.parsers	The Parsers package reads and writes CCP4 map files.

Classes

Class	Description
RealSpaceData	RealSpaceData class.
RealSpaceEnergy	Combine the Real Space target and chemical potential energy.
RealSpaceRefinementData	RealSpaceRefinementData class.