Uses of Package
ffx.potential.commands

Packages that use ffx.potential.commands

Package	Description
ffx.potential.commands

Classes in ffx.potential.commands used by ffx.potential.commands

Class	Description
Biotype	Print out Biotype records for the atoms in an XYZ file.
Cart2Frac	Convert from Cartesian to fractional coordinates.
ChainBreaks	Fix chain breaks in a PDB file.
Density	Calculate the mean system density for single topology systems.
Energy	Compute the force field potential energy.
ExportQE	Generate Quantum Espresso (QE) input from an XYZ file.
Fasta	Fasta outputs a sub-sequence from a FASTA file.
FeatureMap	Create a Feature Map for a given protein structure.
FFtoXML	The FFtoXML command saves a force field as an XML file usable by OpenMM.
Frac2Cart	Convert from fractional to Cartesian coordinates.
ImportCIF	Convert a CIF file to PDB/XYZ format.
MoveIntoUnitCell	Move the center of mass of each molecule into the unit cell.
NucleicAcidAnalysis	Calculates nucleic acid torsions as well as information regarding the sugar pucker.
PhEnergy	The Energy script evaluates the energy of a system.
PrepareSpaceGroups	Create sub-directories for selected space groups.
SaveAsP1	Expand the system to P1 and then save it.
SaveAsPDB	Save the system as a PDB file.
SaveAsXYZ	Save the system as an XYZ (or ARC) file.
Solvator	The Solvator script puts a box of solvent around a solute.
Timer	The Timer command evaluates the wall clock time for energy and forces.
Volume	Calculate the surface area and volume using the GaussVol (default) or Connolly algorithm.
VolumeArc	Calculate the surface area and volume using the GaussVol (default) or Connolly algorithm for each snapshot in an ARC file.
WriteRestraints	WriteRestraints logs "restrain-position" properties for a PDB/XYZ file.