Package org.rcsb.cif.model.generated

Class ChemCompTorValue

java.lang.Object

org.rcsb.cif.model.BaseCategory

org.rcsb.cif.model.generated.ChemCompTorValue

All Implemented Interfaces:

Category

@Generated("org.rcsb.cif.generator.SchemaGenerator")
public class ChemCompTorValue
extends BaseCategory

Data items in the CHEM_COMP_TOR_VALUE category record details about the target values for the torsion angles enumerated in the CHEM_COMP_TOR list. Target values may be specified as angles in degrees, as a distance between the first and fourth atoms, or both.

Field Summary

Fields inherited from class org.rcsb.cif.model.BaseCategory

isText, textFields

Constructor Summary

Constructors

Constructor	Description
ChemCompTorValue(String name)
ChemCompTorValue(String name, int rowCount, Object[] encodedColumns)
ChemCompTorValue(String name, Map<String,Column> columns)

Method Summary

Modifier and Type	Method	Description
FloatColumn	getAngle()	A value that should be taken as a potential target value for the torsion angle associated with the specified atoms, expressed in degrees.
FloatColumn	getAngleEsd()	The standard uncertainty (estimated standard deviation) of _chem_comp_tor_value.angle.
StrColumn	getCompId()	This data item is a pointer to _chem_comp_atom.comp_id in the CHEM_COMP_ATOM category.
FloatColumn	getDist()	A value that should be taken as a potential target value for the torsion angle associated with the specified atoms, expressed as the distance between the atoms specified by _chem_comp_tor.atom_id_1 and _chem_comp_tor.atom_id_4 in the referenced record in the CHEM_COMP_TOR list.
FloatColumn	getDistEsd()	The standard uncertainty (estimated standard deviation) of _chem_comp_tor_value.dist.
StrColumn	getTorId()	This data item is a pointer to _chem_comp_tor.id in the CHEM_COMP_TOR category.

Methods inherited from class org.rcsb.cif.model.BaseCategory

getBinaryColumn, getCategoryName, getColumn, getColumnNames, getRowCount, isDefined

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface org.rcsb.cif.model.Category

columnNames, columns, get

Constructor Detail

ChemCompTorValue

public ChemCompTorValue(String name,
                        Map<String,Column> columns)

ChemCompTorValue

public ChemCompTorValue(String name,
                        int rowCount,
                        Object[] encodedColumns)

ChemCompTorValue

public ChemCompTorValue(String name)

Method Detail

getCompId

public StrColumn getCompId()

This data item is a pointer to _chem_comp_atom.comp_id in the CHEM_COMP_ATOM category.

Returns:

StrColumn

getTorId

public StrColumn getTorId()

This data item is a pointer to _chem_comp_tor.id in the CHEM_COMP_TOR category.

Returns:

StrColumn

getAngle

public FloatColumn getAngle()

A value that should be taken as a potential target value for the torsion angle associated with the specified atoms, expressed in degrees.

Returns:

FloatColumn

getAngleEsd

public FloatColumn getAngleEsd()

The standard uncertainty (estimated standard deviation) of _chem_comp_tor_value.angle.

Returns:

FloatColumn

getDist

public FloatColumn getDist()

A value that should be taken as a potential target value for the torsion angle associated with the specified atoms, expressed as the distance between the atoms specified by _chem_comp_tor.atom_id_1 and _chem_comp_tor.atom_id_4 in the referenced record in the CHEM_COMP_TOR list. Note that the torsion angle cannot be fully specified by a distance (for instance, a torsion angle of -60 degree will yield the same distance as a 60 degree angle). However, the distance specification can be useful for refinement in situations in which the angle is already close to the desired value.

Returns:

FloatColumn

getDistEsd

public FloatColumn getDistEsd()

The standard uncertainty (estimated standard deviation) of _chem_comp_tor_value.dist.

Returns:

FloatColumn