Uses of Class
ffx.potential.bonded.MSNode
Packages that use MSNode
Package
Description
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 Parsers package handles reading/writing files to/from the internal data structure.
The UI package provides views and controllers for manipulating molecular systems.
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Uses of MSNode in ffx.potential
Subclasses of MSNode in ffx.potentialModifier and TypeClassDescriptionclassThe MolecularAssembly class is a collection of Polymers, Hetero Molecules, Ions and WaterMethods in ffx.potential that return MSNodeModifier and TypeMethodDescriptionAbstract method that should specify how to add various MSNodes subclasses (such as Atoms, Residues and Polymers) to the MSGroupMethods in ffx.potential that return types with arguments of type MSNodeModifier and TypeMethodDescriptionMolecularAssembly.getAllBondedEntities()Gets all bonded entities in this MolecularAssembly, where an entity can be a polymer, molecule, monoatomic ion, or monoatomic gas (i.e. noble gas atoms).MolecularAssembly.getIons()Getter for the fieldions.MolecularAssembly.getMolecules()Getter for the fieldmolecules.MolecularAssembly.getNodeList()getNodeListMolecularAssembly.getWater()getWaterMethods in ffx.potential with parameters of type MSNodeModifier and TypeMethodDescriptionAbstract method that should specify how to add various MSNodes subclasses (such as Atoms, Residues and Polymers) to the MSGroupvoidRenderer.arm(MSNode node, boolean t, boolean v, RendererCache.ViewModel vtype, boolean c, RendererCache.ColorModel ctype) armMethod parameters in ffx.potential with type arguments of type MSNodeModifier and TypeMethodDescriptionvoidRenderer.arm(ArrayList<MSNode> nodes, boolean t, boolean v, RendererCache.ViewModel vtype, boolean c, RendererCache.ColorModel ctype) This node arms UpdateBehavior with a graphics operation to carry outConstructors in ffx.potential with parameters of type MSNodeModifierConstructorDescriptionMolecularAssembly(String name, MSNode Polymers) Constructor for MolecularAssembly.MolecularAssembly(String name, MSNode Polymers, org.apache.commons.configuration2.CompositeConfiguration properties) Constructor for MolecularAssembly. -
Uses of MSNode in ffx.potential.bonded
Subclasses of MSNode in ffx.potential.bondedModifier and TypeClassDescriptionclassThe Angle class represents an angle formed between three linearly bonded atoms.classThe AngleTorsion class represents an angle torsion coupling between four bonded atoms.classThe Atom class represents a single atom and defines its alternate conformations and molecular mechanics atom type.classThe Bond class represents a covalent bond formed between two atoms.classThe BondedTerm class is extended by all Valence Geometry classes (bond, angle, dihedral, torsion, etc.).classThe ImproperTorsion class represents an Improper Torsion.classThe Joint class contains the geometry produced by the FGroup Joiner method.classThe Molecule class is a general container used for simple compounds or in cases where more specialized classes have not been implemented.classThe MSGroup class has one sub-node containing atoms, and one that contains molecular mechanics/geometry terms.classThe MSRoot class is the root of the Force Field X data structure.classThe MultiResidue class allows switching between residues for uses such as sequence optimization.classThe OutOfPlaneBend class represents an Out-Of-Plane Bend.classThe Pi-Orbital Torsion class.classThe Polymer class encapsulates a peptide or nucleotide chain.classThe Residue class represents individual amino acids or nucleic acid bases.classRestraintDistance class.classRestrain the position of atoms to their initial coordinates.classRestraintTorsion is a class that restrains the torsion angle defined by four atoms.classThe ROLSP class is used for Proof-Of-Concept Parallel Recusive Over Length Scales (ROLS) Methods (currently only on shared memory systems).classThe StretchBend class represents a Stretch-Bend formed between three linearly bonded atoms.classThe StretchTorsion class represents a coupling between a torsional angle and the three bonds contained in the torsion, as defined in the 2017 AMOEBA nucleic acid force field.classThe Torsion class represents a torsional angle formed between four bonded atoms.classThe TorsionTorsion class represents two adjacent torsional angles formed by five bonded atoms.classThe UreyBradley class.Methods in ffx.potential.bonded that return MSNodeModifier and TypeMethodDescriptionAbstract method that should specify how to add various MSNodes subclasses (such as Atoms, Residues and Polymers) to the MSGroupabstract MSNodeAbstract method that should specify how to add various MSNodes subclasses (such as Atoms, Residues and Polymers) to the MSGroupAbstract method that should specify how to add various MSNodes subclasses (such as Atoms, Residues and Polymers) to the MSGroupAbstract method that should specify how to add various MSNodes subclasses (such as Atoms, Residues and Polymers) to the MSGroupAbstract method that should specify how to add various MSNodes subclasses (such as Atoms, Residues and Polymers) to the MSGroupIfthisMSNode or any MSNode below itequalsthe argument, that MSNode is returned.MSGroup.getAngles()Returns the MultiScaleGroup's angles FNode.MultiResidue.getAngles()Returns the MultiScaleGroup's angles FNode.MSGroup.getAtomNode()Returns the AtomNode.MSGroup.getAtomNode(int index) Returns the MSNode at the given index.MSGroup.getAtomNode(String n) Returns the AtomNode specified by the String n.MultiResidue.getAtomNode()Returns the AtomNode.MultiResidue.getAtomNode(int index) Returns the MSNode at the given index.MultiResidue.getAtomNode(String n) Returns the AtomNode specified by the String n.MSGroup.getBonds()Returns the MultiScaleGroup's bonds FNode.MultiResidue.getBonds()Returns the MultiScaleGroup's bonds FNode.MSGroup.getTermNode()Returns the MultiScaleGroup's terms FNode.MultiResidue.getTermNode()Returns the MultiScaleGroup's terms FNode.MSGroup.getTorsions()Returns the MultiScaleGroup's Torsion MSNode.MultiResidue.getTorsions()Returns the MultiScaleGroup's Torsion MSNode.Methods in ffx.potential.bonded that return types with arguments of type MSNodeModifier and TypeMethodDescriptionMSGroup.getAtomNodeList()Returns a List of the AtomNode's children.MultiResidue.getAtomNodeList()Returns a List of the AtomNode's children.MSNode.getChildList()Returns a List of the MSNode's Children (instead of using an Enumeration).Methods in ffx.potential.bonded with parameters of type MSNodeModifier and TypeMethodDescriptionAbstract method that should specify how to add various MSNodes subclasses (such as Atoms, Residues and Polymers) to the MSGroupabstract MSNodeAbstract method that should specify how to add various MSNodes subclasses (such as Atoms, Residues and Polymers) to the MSGroupAbstract method that should specify how to add various MSNodes subclasses (such as Atoms, Residues and Polymers) to the MSGroupAbstract method that should specify how to add various MSNodes subclasses (such as Atoms, Residues and Polymers) to the MSGroupAbstract method that should specify how to add various MSNodes subclasses (such as Atoms, Residues and Polymers) to the MSGroupIfthisMSNode or any MSNode below itequalsthe argument, that MSNode is returned.voidMSNode.removeChild(MSNode child) removeChild.voidSets the Angles node to t.voidSets the Angles node to t.voidMSGroup.setAngleTorsions(MSNode t) Sets the MultiScaleGroup's angle-torsion node to t.voidMSGroup.setAtomNode(MSNode t) Sets the Moieties node to t.voidMultiResidue.setAtomNode(MSNode t) Sets the Moieties node to t.voidSets the Bonds node to t.voidSets the Bonds node to t.voidMSGroup.setImproperTorsions(MSNode t) Sets the ImproperTorsion node to t.voidMSGroup.setOutOfPlaneBends(MSNode t) Sets the Out-of-Plane Bend node to t.voidMultiResidue.setOutOfPlaneBends(MSNode t) Sets the Out-of-Plane Bend node to t.voidMSGroup.setPiOrbitalTorsions(MSNode t) Sets the MultiScaleGroup's Pi-Orbital Torsion node to t.voidMultiResidue.setPiOrbitalTorsions(MSNode t) Sets the MultiScaleGroup's Pi-Orbital Torsion node to t.voidMSGroup.setStretchBends(MSNode t) Sets the Stretch-Bends node to t.voidMultiResidue.setStretchBends(MSNode t) Sets the Stretch-Bends node to t.voidMSGroup.setStretchTorsions(MSNode t) Sets the MultiScaleGroup's stretch-torsion node to t.voidSets the MultiScaleGroup's terms node to t.voidSets the MultiScaleGroup's terms node to t.voidMSGroup.setTorsions(MSNode t) Sets the MultiScaleGroup's torsion node to t.voidMultiResidue.setTorsions(MSNode t) Sets the MultiScaleGroup's torsion node to t.voidMSGroup.setTorsionTorsions(MSNode t) Sets the MultiScaleGroup's Torsion-Torsion node to t.voidMultiResidue.setTorsionTorsions(MSNode t) Sets the MultiScaleGroup's Torsion-Torsion node to t.voidMSGroup.setUreyBradleys(MSNode t) Sets the Urey-Bradley node to t.voidMultiResidue.setUreyBradleys(MSNode t) Sets the Urey-Bradley node to t.Method parameters in ffx.potential.bonded with type arguments of type MSNodeModifier and TypeMethodDescriptionstatic voidPolymerUtils.resolvePolymerLinks(List<MSNode> molecules, MolecularAssembly molecularAssembly, List<Bond> bondList) Resolves links between polymeric hetero groups; presently only functional for cyclic molecules.Constructors in ffx.potential.bonded with parameters of type MSNodeModifierConstructorDescriptionJoint(MSGroup group1, MSGroup group2, MSNode bondNode, MSNode angleNode, MSNode stretchBendNode, MSNode ureyBradleyNode, MSNode outOfPlaneNode, MSNode torsionNode, MSNode improperTorsionNode, MSNode stretchTorsionNode, MSNode angleTorsionNode, MSNode piOrbitalTorsionNode, MSNode torsionTorsionNode) Constructs a Joint between Group 1 and Group 2.Constructs a MultiScaleGroup object with name n and sets its AtomGroup node equals to node.Polymer Constructor.Residue(String name, int resNumber, MSNode atoms, Residue.ResidueType residueType, ForceField forceField) As above, with atoms being a MSNode with this Residue's atoms as child nodes -
Uses of MSNode in ffx.potential.parsers
Method parameters in ffx.potential.parsers with type arguments of type MSNode -
Uses of MSNode in ffx.ui
Modifier and TypeClassDescriptionclassThe FFXSystem class contains extensions to the generic MolecularAssembly class.Modifier and TypeMethodDescriptionvoidHierarchy.groupSelection(MSNode f1, MSNode f2) groupSelectionvoidmergevoidselectstatic Selectionselectstatic SelectionselectvoidGraphicsCanvas.setColorModel(String model, MSNode node) Operates on the passed node.voidGraphicsCanvas.setPosition(MSNode node) setPositionvoidGraphicsCanvas.setViewModel(String model, MSNode node) Operates on the supplied node.voidGraphicsCanvas.updateScene(MSNode n, boolean t, boolean v, RendererCache.ViewModel newViewModel, boolean c, RendererCache.ColorModel newColorModel) updateSceneModifier and TypeMethodDescriptionvoidHierarchy.addSelections(ArrayList<MSNode> a) addSelectionsvoidHierarchy.removeSelections(ArrayList<MSNode> a) removeSelectionsvoidHierarchy.toggleSelections(ArrayList<MSNode> a) toggleSelectionsvoidGraphicsCanvas.updateScene(ArrayList<MSNode> n, boolean t, boolean v, RendererCache.ViewModel newViewModel, boolean c, RendererCache.ColorModel newColorModel) updateScene