Package | Description |
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org.biojava.nbio.structure |
Interfaces and classes for protein structure (PDB).
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org.biojava.nbio.structure.contact |
Modifier and Type | Method and Description |
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static 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 chain1,
Chain chain2,
double cutoff,
boolean hetAtoms)
Returns the set of inter-chain contacts between the two given chains for
all non-H atoms.
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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.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.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.
|
Modifier and Type | Method and Description |
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AtomContactSet |
Grid.getAtomContacts()
Returns all contacts, i.e. all atoms that are within the cutoff distance.
|
AtomContactSet |
Grid.getContacts()
Deprecated.
use
Grid.getAtomContacts() instead |
AtomContactSet |
StructureInterface.getContacts() |
Modifier and Type | Method and Description |
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void |
StructureInterface.setContacts(AtomContactSet contacts) |
Constructor and Description |
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GroupContactSet(AtomContactSet atomContacts)
Constructs a
GroupContactSet by collapsing the given AtomContactSet into
residue-residue (group-group) contacts. |
StructureInterface(Atom[] firstMolecule,
Atom[] secondMolecule,
String firstMoleculeId,
String secondMoleculeId,
AtomContactSet contacts,
CrystalTransform firstTransf,
CrystalTransform secondTransf)
Constructs a StructureInterface
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