Uses of Class
org.biojava.nbio.structure.contact.AtomContactSet
Package
Description
Interfaces and classes for protein structure (PDB).
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Uses of AtomContactSet in org.biojava.nbio.structure
Modifier and TypeMethodDescriptionstatic AtomContactSet
StructureTools.getAtomsCAInContact
(Chain chain, double cutoff) Returns the set of intra-chain contacts for the given chain for C-alpha atoms (including non-standard aminoacids appearing as HETATM groups), i.e. the contact map.static AtomContactSet
StructureTools.getAtomsInContact
(Chain chain, double cutoff) Returns the set of intra-chain contacts for the given chain for all non-H atoms of non-hetatoms, i.e. the contact map.static AtomContactSet
StructureTools.getAtomsInContact
(Chain chain, String[] atomNames, double cutoff) Returns the set of intra-chain contacts for the given chain for given atom names, i.e. the contact map.static AtomContactSet
StructureTools.getAtomsInContact
(Chain chain1, Chain chain2, double cutoff, boolean hetAtoms) Returns the set of inter-chain contacts between the two given chains for all non-H atoms.static AtomContactSet
StructureTools.getAtomsInContact
(Chain chain1, Chain chain2, String[] atomNames, double cutoff, boolean hetAtoms) Returns the set of inter-chain contacts between the two given chains for the given atom names.static AtomContactSet
StructureTools.getRepresentativeAtomsInContact
(Chain chain, double cutoff) Returns the set of intra-chain contacts for the given chain for C-alpha or C3' atoms (including non-standard aminoacids appearing as HETATM groups), i.e. the contact map. -
Uses of AtomContactSet in org.biojava.nbio.structure.contact
Modifier and TypeMethodDescriptionGrid.getAtomContacts()
Returns all contacts, i.e. all atoms that are within the cutoff distance.Grid.getContacts()
Deprecated.StructureInterface.getContacts()
ModifierConstructorDescriptionGroupContactSet
(AtomContactSet atomContacts) Constructs aGroupContactSet
by collapsing the givenAtomContactSet
into residue-residue (group-group) contacts.StructureInterface
(Atom[] firstMolecule, Atom[] secondMolecule, String firstMoleculeId, String secondMoleculeId, AtomContactSet contacts, CrystalTransform firstTransf, CrystalTransform secondTransf) Constructs a StructureInterface
Grid.getAtomContacts()
instead