Uses of Package
ffx.crystal
Packages that use ffx.crystal
Package
Description
The Algorithms CLI package defines options for PicoCLI command line scripts.
The Dynamics package implements molecular and stochastic dynamics using a pure Java code path and
via OpenMM.
The Thermodynamics package computes free energy differences using Orthogonal Space Tempering
(OST) sampling via pure Java or OpenMM (via Monte Carlo OST).
The Crystal package implements space group symmetry and periodic boundary condition support.
The Potential package implements molecular mechanics force fields with shared memory Parallel
Java and via OpenMM.
The Bonded package implements bonded molecular mechanics terms such as bonds, angles, torsions,
etc.
The Nonbonded package implements nonbonded molecular mechanics terms such as van der Waals and
Particle Mesh Ewald electrostastics.
The Parsers package handles reading/writing files to/from the internal data structure.
The Real Space package implements real space structure refinement.
The Parsers package reads and writes CCP4 map files.
The X-ray package implements support for X-ray and Neutron refinement.
The Parsers package reads CNS files and reads/writes MTZ files.
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Classes in ffx.crystal used by ffx.algorithms.cliClassDescriptionThe CrystalPotential interface extends Potential to provide methods that change the periodic boundary conditions and symmetry via a Crystal instance.
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Classes in ffx.crystal used by ffx.algorithms.dynamicsClassDescriptionThe Crystal class encapsulates the lattice parameters and space group that describe the geometry and symmetry of a crystal.The CrystalPotential interface extends Potential to provide methods that change the periodic boundary conditions and symmetry via a Crystal instance.
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Classes in ffx.crystal used by ffx.algorithms.optimize.manybody
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Classes in ffx.crystal used by ffx.algorithms.thermodynamicsClassDescriptionThe Crystal class encapsulates the lattice parameters and space group that describe the geometry and symmetry of a crystal.The CrystalPotential interface extends Potential to provide methods that change the periodic boundary conditions and symmetry via a Crystal instance.
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Classes in ffx.crystal used by ffx.crystalClassDescriptionEnumeration of the different asymmetric unit limit operators.The Crystal class encapsulates the lattice parameters and space group that describe the geometry and symmetry of a crystal.Enumeration of the 7 crystal systems.The HKL class represents a single reflection.Enumeration of the 7 lattice systems.Enumeration of the different Laue systems.Class to represent a reflection list.The Resolution class encapsulates the sampling limits and resolution limits for a given crystal and/or data set.The Spacegroup class defines the symmetry of a crystal.The SymOp class defines the rotation and translation of a single symmetry operator.
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Classes in ffx.crystal used by ffx.potentialClassDescriptionThe Crystal class encapsulates the lattice parameters and space group that describe the geometry and symmetry of a crystal.The CrystalPotential interface extends Potential to provide methods that change the periodic boundary conditions and symmetry via a Crystal instance.
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Classes in ffx.crystal used by ffx.potential.bondedClassDescriptionThe Crystal class encapsulates the lattice parameters and space group that describe the geometry and symmetry of a crystal.
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Classes in ffx.crystal used by ffx.potential.nonbondedClassDescriptionThe Crystal class encapsulates the lattice parameters and space group that describe the geometry and symmetry of a crystal.
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Classes in ffx.crystal used by ffx.potential.nonbonded.implicitClassDescriptionThe Crystal class encapsulates the lattice parameters and space group that describe the geometry and symmetry of a crystal.
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Classes in ffx.crystal used by ffx.potential.nonbonded.pmeClassDescriptionThe Crystal class encapsulates the lattice parameters and space group that describe the geometry and symmetry of a crystal.
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Classes in ffx.crystal used by ffx.potential.openmmClassDescriptionThe Crystal class encapsulates the lattice parameters and space group that describe the geometry and symmetry of a crystal.The CrystalPotential interface extends Potential to provide methods that change the periodic boundary conditions and symmetry via a Crystal instance.
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Classes in ffx.crystal used by ffx.potential.parsersClassDescriptionThe Crystal class encapsulates the lattice parameters and space group that describe the geometry and symmetry of a crystal.
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Classes in ffx.crystal used by ffx.realspaceClassDescriptionThe Crystal class encapsulates the lattice parameters and space group that describe the geometry and symmetry of a crystal.The CrystalPotential interface extends Potential to provide methods that change the periodic boundary conditions and symmetry via a Crystal instance.
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Classes in ffx.crystal used by ffx.realspace.parsersClassDescriptionThe Crystal class encapsulates the lattice parameters and space group that describe the geometry and symmetry of a crystal.
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Classes in ffx.crystal used by ffx.xrayClassDescriptionThe Crystal class encapsulates the lattice parameters and space group that describe the geometry and symmetry of a crystal.The CrystalPotential interface extends Potential to provide methods that change the periodic boundary conditions and symmetry via a Crystal instance.The HKL class represents a single reflection.Class to represent a reflection list.The Resolution class encapsulates the sampling limits and resolution limits for a given crystal and/or data set.
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Classes in ffx.crystal used by ffx.xray.parsersClassDescriptionThe Crystal class encapsulates the lattice parameters and space group that describe the geometry and symmetry of a crystal.Class to represent a reflection list.