Package | Description |
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org.biojava.nbio.protmod.structure | |
org.biojava.nbio.structure |
Interfaces and classes for protein structure (PDB).
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org.biojava.nbio.structure.align.util | |
org.biojava.nbio.structure.contact | |
org.biojava.nbio.structure.io |
Input and Output of Structures
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org.biojava.nbio.structure.secstruc |
Modifier and Type | Method and Description |
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ResidueNumber |
StructureGroup.getPDBResidueNumber() |
Modifier and Type | Method and Description |
---|---|
void |
StructureGroup.setPDBResidueNumber(ResidueNumber resNum) |
Constructor and Description |
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StructureGroup(ResidueNumber resNum,
String pdbName,
boolean isAminoAcid) |
Modifier and Type | Field and Description |
---|---|
protected ResidueNumber |
HetatomImpl.residueNumber |
Modifier and Type | Method and Description |
---|---|
static ResidueNumber |
ResidueNumber.fromString(String pdb_code)
Convert a string representation of a residue number to a residue number object.
|
ResidueNumber |
ResidueRange.getEnd() |
ResidueNumber |
AtomPositionMap.getFirst() |
ResidueNumber |
AtomPositionMap.getFirst(String chainId) |
ResidueNumber |
AtomPositionMap.getLast() |
ResidueNumber |
AtomPositionMap.getLast(String chainId) |
ResidueNumber |
AugmentedResidueRange.getResidue(int positionInRange)
Returns the ResidueNumber that is at position
positionInRange in this ResidueRange. |
ResidueNumber |
ResidueRange.getResidue(int positionInRange,
AtomPositionMap map)
Returns the ResidueNumber that is at position
positionInRange in
this ResidueRange. |
ResidueNumber |
Group.getResidueNumber()
Returns a dynamically created ResidueNumber for the group - this
contains the chainId, resNum and insCode of the group.
|
ResidueNumber |
HetatomImpl.getResidueNumber()
Returns a dynamically created ResidueNumber for the group - this
contains the chainId, resNum and insCode of the group.
|
ResidueNumber |
ResidueRange.getStart() |
Modifier and Type | Method and Description |
---|---|
NavigableMap<ResidueNumber,Integer> |
AtomPositionMap.getNavMap() |
Iterator<ResidueNumber> |
AugmentedResidueRange.iterator()
Returns a new Iterator over every
ResidueNumber in this ResidueRange. |
Iterator<ResidueNumber> |
ResidueRange.iterator(AtomPositionMap map)
Returns a new Iterator over every
ResidueNumber in this ResidueRange. |
Iterator<ResidueNumber> |
ResidueRangeAndLength.iterator(AtomPositionMap map)
Returns a new Iterator over every
ResidueNumber in this ResidueRange. |
static Iterator<ResidueNumber> |
ResidueRange.multiIterator(AtomPositionMap map,
List<? extends ResidueRange> rrs)
Returns a new Iterator over every
ResidueNumber in the list of ResidueRanges. |
static Iterator<ResidueNumber> |
ResidueRange.multiIterator(AtomPositionMap map,
ResidueRange... rrs)
Returns a new Iterator over every
ResidueNumber in the list of ResidueRanges. |
Modifier and Type | Method and Description |
---|---|
int |
ResidueNumber.compareTo(ResidueNumber other)
Compare residue numbers by chain, sequence number, and insertion code
|
int |
ResidueNumber.compareToPositional(ResidueNumber other)
Compare residue numbers by sequence number and insertion code,
ignoring the chain
|
boolean |
AugmentedResidueRange.contains(ResidueNumber residueNumber) |
boolean |
ResidueRange.contains(ResidueNumber residueNumber,
AtomPositionMap map) |
Group |
Chain.getGroupByPDB(ResidueNumber resNum)
Get a group by its PDB residue numbering.
|
Group |
ChainImpl.getGroupByPDB(ResidueNumber resNum)
Get a group by its PDB residue numbering.
|
static Group |
StructureTools.getGroupByPDBResidueNumber(Structure struc,
ResidueNumber pdbResNum)
Get a group represented by a ResidueNumber.
|
Group[] |
Chain.getGroupsByPDB(ResidueNumber pdbresnumStart,
ResidueNumber pdbresnumEnd)
Get all groups that are located between two PDB residue numbers.
|
Group[] |
ChainImpl.getGroupsByPDB(ResidueNumber start,
ResidueNumber end)
Get all groups that are located between two PDB residue numbers.
|
Group[] |
Chain.getGroupsByPDB(ResidueNumber pdbresnumStart,
ResidueNumber pdbresnumEnd,
boolean ignoreMissing)
Get all groups that are located between two PDB residue numbers.
|
Group[] |
ChainImpl.getGroupsByPDB(ResidueNumber start,
ResidueNumber end,
boolean ignoreMissing) |
int |
AtomPositionMap.getLength(ResidueNumber start,
ResidueNumber end)
Calculates the number of atoms between two ResidueNumbers, inclusive.
|
int |
AtomPositionMap.getLengthDirectional(ResidueNumber start,
ResidueNumber end)
Calculates the number of atoms between two ResidueNumbers, inclusive.
|
Integer |
AtomPositionMap.getPosition(ResidueNumber residueNumber)
Gets the 0-based index of residueNumber to the matched atoms
|
void |
Group.setResidueNumber(ResidueNumber residueNumber)
Sets the ResidueNumber for this Group
|
void |
HetatomImpl.setResidueNumber(ResidueNumber residueNumber) |
Modifier and Type | Method and Description |
---|---|
static Map<Group,Double> |
StructureTools.getGroupDistancesWithinShell(Structure structure,
Atom centroid,
Set<ResidueNumber> excludeResidues,
double radius,
boolean includeWater,
boolean useAverageDistance)
Finds Groups in
structure that contain at least one Atom that is
within radius Angstroms of centroid . |
static Set<Group> |
StructureTools.getGroupsWithinShell(Structure structure,
Atom atom,
Set<ResidueNumber> excludeResidues,
double distance,
boolean includeWater) |
Constructor and Description |
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AugmentedResidueRange(String chain,
ResidueNumber start,
ResidueNumber end,
int length,
AtomPositionMap map) |
ResidueNumber(ResidueNumber o) |
ResidueRange(String chainName,
ResidueNumber start,
ResidueNumber end) |
ResidueRangeAndLength(String chain,
ResidueNumber start,
ResidueNumber end,
int length) |
Modifier and Type | Method and Description |
---|---|
static AFPChain |
AlignmentTools.createAFPChain(Atom[] ca1,
Atom[] ca2,
ResidueNumber[] aligned1,
ResidueNumber[] aligned2)
Fundamentally, an alignment is just a list of aligned residues in each
protein.
|
static AFPChain |
AlignmentTools.createAFPChain(Atom[] ca1,
Atom[] ca2,
ResidueNumber[] aligned1,
ResidueNumber[] aligned2)
Fundamentally, an alignment is just a list of aligned residues in each
protein.
|
Modifier and Type | Method and Description |
---|---|
Map<ResidueNumber,GroupAsa> |
StructureInterface.getFirstGroupAsas()
Gets a map of ResidueNumbers to GroupAsas for all groups of first chain.
|
Map<ResidueNumber,GroupAsa> |
StructureInterface.getSecondGroupAsas()
Gets a map of ResidueNumbers to GroupAsas for all groups of second chain.
|
Modifier and Type | Method and Description |
---|---|
GroupAsa |
StructureInterface.getFirstGroupAsa(ResidueNumber resNum)
Gets the GroupAsa for the corresponding residue number of first chain
|
GroupAsa |
StructureInterface.getSecondGroupAsa(ResidueNumber resNum)
Gets the GroupAsa for the corresponding residue number of second chain
|
boolean |
GroupContactSet.hasContact(ResidueNumber resNumber1,
ResidueNumber resNumber2)
Tell whether the given pair is a contact in this GroupContactSet,
the comparison is done by matching residue numbers and chain identifiers
|
Modifier and Type | Method and Description |
---|---|
ResidueNumber[][] |
FastaStructureParser.getResidues()
For each residue in the fasta file, return the ResidueNumber in the
corresponding structure.
|
static ResidueNumber[] |
StructureSequenceMatcher.matchSequenceToStructure(ProteinSequence seq,
Structure struct)
Given a sequence and the corresponding Structure, get the ResidueNumber
for each residue in the sequence.
|
Constructor and Description |
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SecStrucElement(SecStrucType type,
ResidueNumber start,
ResidueNumber end,
int length,
int index,
String chainID)
Create a new SSE object.
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