PDBe database documentation

Entities of Energy Types

The entities that belong to a specific mart
Entity Details: A=Number of attributes of the Entity
R=Number of relations of the Entity
T=Name of the database table
I=Approximation of the number of instances of the entity

Energy Types Definition of energy types for atoms of a molecule in the PDB ligand chemistry together with reference information used for refinement dictionaries
Reference libraries A:4, R:10, T:DATA_SOURCE, I:0	Generic entity for grouping sets of entities that depend on different sources,algorithms or methodologies. Used to group sets of coordinates or energy types
Atom type A:27, R:22, T:LIB_ATOM, I:0	Classes of atom types based on their context and energy
Bond type A:15, R:3, T:LIB_BOND, I:0	Statistical reference information about bonds depending on the energy types of their atoms
Angle type A:18, R:1, T:LIB_ANGLE, I:0	Statistical reference information about angles formed by 3 atoms depending on their energy types
Torsion angle type A:19, R:5, T:LIB_TORS, I:0	Statistical reference information about torsion angles (the angles between the two planes defined) formed by 4 atoms depending on their energy types
Improper angle type A:17, R:5, T:LIB_IMPROPER, I:0	Statistical reference information about improper angles. These are similar to torsion angles, but use a different set of parameters. As in a torsion angle, the improper angle is defined by the angle between the planes made by 4 atoms but allow to specify a cosine expansion for the improper angle potential energy.
Van der wall type A:13, R:3, T:LIB_VDW, I:0	Statistical reference information about Van der Waal forces between atoms depending on their energy types
Hydrogen bond type A:12, R:3, T:LIB_HBOND, I:0	Statistical reference information about hydrogen bonds between atoms depending on their energy types
Non bonded A:12, R:2, T:LIB_NONBONDED, I:0	Statistical reference information about interactions of atoms which are not linked by covalent bonds, depending on their energy types
Atom type mapping A:11, R:2, T:LIB_ATOM_MAP, I:0	Provides mappings between different atom energy types. All different libraries provide mappings with the superset EPDBe library. Energy types are assigned to atoms for the EPDBe library only, and these are forwarded to all other libraries (like CCP4 and CNS) by using these mappings

Attributes/Relations of Energy Types Entities

The attributes and relations that belong to a specific entity
Attribute Details: Type of the attribute String

:String,

:Integer,

:Number,

:Date,

:Unknown
C=Name of the database column
S=Maximum size of the attribute
=Actual average size used for the attribute
Naming

The attribute is a part of the name of an instance

The attribute is a part of the reference key of an instance
Hidden

The attribute is not supposed to be visible and used for queries
Summery

The attribute is supposed to be used in summary reports (lists) for the entity

Relation Details: Cardinality of the relation

:Optional, Many

:Many

=Reverse relation of the entity that the relation refers to

=Entity that this relation establishes an association (reverse entity)

The relation is the containment relation of the entity

The relation is associated with an external entity from a different mart
Hidden

The relation is not supposed to be visible and used for queries

Reference libraries Generic entity for grouping sets of entities that depend on different sources,algorithms or methodologies. Used to group sets of coordinates or energy types Reference attributes:Data Source Id - Naming attributes:Name,Version
Data Source Id C:DATA_SOURCE_ID, S:10, A:0.0	The database identifier of the Data Source
Name C:NAME, S:20, A:0.0	Name of the library
Version C:VERSION, S:8, A:0.0	Version of the library. A library with the same name may have more than one version
Details C:DETAILS, S:4000, A:0.0	Description of the library, and its source
has related	Reverse relation:of of Reverse entity:Atom type - Relation attributes:Data Source Id
has related	Reverse relation:of of Reverse entity:Bond type - Relation attributes:Data Source Id
has related	Reverse relation:of of Reverse entity:Hydrogen bond type - Relation attributes:Data Source Id
has related	Reverse relation:of of Reverse entity:Improper angle type - Relation attributes:Data Source Id
of related	Reverse relation:of of Reverse entity:Non bonded - Relation attributes:Data Source Id
has related	Reverse relation:of of Reverse entity:Coordinates of molecule atoms - Relation attributes:Data Source Id
has related	Reverse relation:of of Reverse entity:Angle type - Relation attributes:Data Source Id
has related	Reverse relation:of of Reverse entity:Atom energy types - Relation attributes:Data Source Id
has related	Reverse relation:of of Reverse entity:Torsion angle type - Relation attributes:Data Source Id
has related	Reverse relation:of of Reverse entity:Van der wall type - Relation attributes:Data Source Id

Atom type Classes of atom types based on their context and energy Reference attributes:Lib Atom Id - Naming attributes:Data Source Name,Data Source Version,Name
Lib Atom Id C:LIB_ATOM_ID, S:10, A:0.0	The database identifier of the Lib Atom
Data Source Name C:DATA_SOURCE_NAME, S:20, A:0.0	The data source (library) that defines the energy type information
Data Source Version C:DATA_SOURCE_VERSION, S:8, A:0.0	The version of the data source (library) that defines the energy type information
Name C:NAME, S:8, A:0.0	Name of the energy type
A Charge C:A_CHARGE, S:0, A:0.0
Alternative Name C:ALT_NAME, S:8, A:0.0
B Charge C:B_CHARGE, S:0, A:0.0
C Charge C:C_CHARGE, S:0, A:0.0
Charge C:CHARGE, S:1, A:0.0	The formal charge of the atom of this energy type
D Charge C:D_CHARGE, S:0, A:0.0
Data Source Id C:DATA_SOURCE_ID, S:10, A:0.0	The database identifier of the Data Source
Details C:DETAILS, S:4000, A:0.0	Details and description of the energy type
Element Id C:ELEMENT_ID, S:10, A:0.0	The database identifier of the Element
Element Symbol C:ELEMENT_SYMBOL, S:15, A:0.0	The symbol of the chemical element of the energy type
Examples C:EXAMPLES, S:4000, A:0.0	Textual description of examples of molecules where this energy type can be found
Hybridisation Type C:HB_TYPE, S:1, A:0.0
Is Aromatic C:IS_AROMATIC, S:1, A:0.0	Aromatic flag for this atom type (as specified by its vega template)
Mass C:MASS, S:0, A:0.0	The mass for atoms for this energy type as this is defined in the library
Maximum Ring Size C:MAX_RING_SIZE, S:2, A:0.0	The maximum ring size of atom type (as specified by its vega template)
Metal Bonding Radius C:METAL_BONDING_RADIUS, S:0, A:0.0
Number of Bonds C:NUM_OF_BONDS, S:2, A:0.0	The number of bonds of this atom type (as specified by its vega template)
Partial Charge C:PARTIAL_CHARGE, S:0, A:0.0	The partial charge for atoms for this energy type as this is defined in the library
Ring Size C:RING_SIZE, S:2, A:0.0	The ring size of atom type (as specified by its vega template)
Template C:TEMPLATE, S:4000, A:0.0	The template that defines the energy type. It is an encoding of an atoms environment based on a molecule subgraph specification (http://users.unimi.it/~ddl/vega/manual/pages/force_field.htm#6.1)
Topological Context C:TOPOLOGICAL_CONTEXT, S:240, A:0.0
Van der Waals Radius C:VDW_RADIUS, S:0, A:0.0	The van der Waals radius for atoms of this energy type as this is defined in the library
Van der Waals Hydrogen Radius C:VDWH_RADIUS, S:0, A:0.0	The van der Waals radius for hydrogens atoms of this energy type as this is defined in the library
of related	Reverse relation:has of Reverse entity:Reference libraries - Relation attributes:Data Source Id
type related	Reverse relation:maps of Reverse entity:Atom type mapping - Relation attributes:Lib Atom Id
parent related	Reverse relation:parent of Reverse entity:Atom type mapping - Relation attributes:Lib Atom Id
1st of related	Reverse relation:1st of Reverse entity:Bond type - Relation attributes:Lib Atom Id
2nd of related	Reverse relation:2nd of Reverse entity:Bond type - Relation attributes:Lib Atom Id
donor of related	Reverse relation:donor of Reverse entity:Hydrogen bond type - Relation attributes:Lib Atom Id
acceptor of related	Reverse relation:acceptor of Reverse entity:Hydrogen bond type - Relation attributes:Lib Atom Id
1st of related	Reverse relation:1st of Reverse entity:Improper angle type - Relation attributes:Lib Atom Id
2nd of related	Reverse relation:2nd of Reverse entity:Improper angle type - Relation attributes:Lib Atom Id
3rd of related	Reverse relation:3nd of Reverse entity:Improper angle type - Relation attributes:Lib Atom Id
acceptor related	Reverse relation:acceptor of Reverse entity:Van der wall type - Relation attributes:Lib Atom Id
donor related	Reverse relation:donor of Reverse entity:Van der wall type - Relation attributes:Lib Atom Id
4th of related	Reverse relation:4th of Reverse entity:Torsion angle type - Relation attributes:Lib Atom Id
3nd of related	Reverse relation:3rd of Reverse entity:Torsion angle type - Relation attributes:Lib Atom Id
2nd of related	Reverse relation:2nd of Reverse entity:Torsion angle type - Relation attributes:Lib Atom Id
1st of related	Reverse relation:1st of Reverse entity:Torsion angle type - Relation attributes:Lib Atom Id
has related	Reverse relation:of of Reverse entity:Non bonded - Relation attributes:Lib Atom Id
4th of related	Reverse relation:4th of Reverse entity:Improper angle type - Relation attributes:Lib Atom Id
is related	The element that the energy atom type is Reverse relation:has of Reverse entity:Element - Relation attributes:Element Id
cns related	Reverse relation:cns of Reverse entity:Atom energy types - Relation attributes:Lib Atom Id
ccp4 related	Reverse relation:ccp4 of Reverse entity:Atom energy types - Relation attributes:Lib Atom Id
has related	Reverse relation:of of Reverse entity:Atom energy types - Relation attributes:Lib Atom Id

Bond type Statistical reference information about bonds depending on the energy types of their atoms Reference attributes:Lib Bond Id - Naming attributes:Data Source Name,Data Source Version,1st atom type,Lib Bond Id
Lib Bond Id C:LIB_BOND_ID, S:10, A:0.0	The database identifier of the Lib Bond
Data Source Name C:DATA_SOURCE_NAME, S:20, A:0.0	The data source (library) that defines the energy type information
Data Source Version C:DATA_SOURCE_VERSION, S:8, A:0.0	The version of the data source (library) that defines the energy type information
1st atom type C:LIB_ATOM_1_NAME, S:8, A:0.0
Constant C:CONST, S:0, A:0.0	The force constant, determines the strength of the bond
Data Source Id C:DATA_SOURCE_ID, S:10, A:0.0	The database identifier of the Data Source
Details C:DETAILS, S:4000, A:0.0	Details about the bond between these 2 energy types
Energy C:ENERGY, S:0, A:0.0	The energy of the bond
Topological Context C:LIB_ATOM_TOPOLOGICAL_CONTEXT, S:240, A:0.0
Lib Atom 1Id C:LIB_ATOM_1_ID, S:10, A:0.0	The database identifier of the Lib Atom 1
Lib Atom 2Id C:LIB_ATOM_2_ID, S:10, A:0.0	The database identifier of the Lib Atom 2
2nd atom type C:LIB_ATOM_2_NAME, S:8, A:0.0
Lib Bond Type C:LIB_BOND_TYPE, S:5, A:0.0
Bond length C:VALUE_DIST, S:0, A:0.0	Ideal bond length
Value Distance ESD C:VALUE_DIST_ESD, S:0, A:0.0
of related	Reverse relation:has of Reverse entity:Reference libraries - Relation attributes:Data Source Id
1st related	Reverse relation:1st of of Reverse entity:Atom type - Relation attributes:Lib Atom 1Id
2nd related	Reverse relation:2nd of of Reverse entity:Atom type - Relation attributes:Lib Atom 2Id

Angle type Statistical reference information about angles formed by 3 atoms depending on their energy types Reference attributes:Lib Angle Id - Naming attributes:Data Source Name,Data Source Version,1st atom type,2nd atom type,3rd atom type
Lib Angle Id C:LIB_ANGLE_ID, S:10, A:0.0	The database identifier of the Lib Angle
Data Source Name C:DATA_SOURCE_NAME, S:20, A:0.0	The data source (library) that defines the energy type information
Data Source Version C:DATA_SOURCE_VERSION, S:8, A:0.0	The version of the data source (library) that defines the energy type information
1st atom type C:LIB_ATOM_1_NAME, S:8, A:0.0
2nd atom type C:LIB_ATOM_2_NAME, S:8, A:0.0
3rd atom type C:LIB_ATOM_3_NAME, S:8, A:0.0
Constant C:CONST, S:0, A:0.0	The force constant, determines the strength of the angle
Stereo type C:COORD_STEREO, S:240, A:0.0	Stereo coordination of the angle type i.e. axial-axial, axial-equatorial ...
Coordination C:COORDINATION, S:240, A:0.0	Coordination of the angle in space (i.e. Square plane, Square pyramid, Trigonal bimyramid ...
Data Source Id C:DATA_SOURCE_ID, S:10, A:0.0	The database identifier of the Data Source
Details C:DETAILS, S:4000, A:0.0	Details and examples for the angle type
Energy C:ENERGY, S:0, A:0.0	The energy of the angle
Topological Context C:LIB_ATOM_TOPOLOGICAL_CONTEXT, S:240, A:0.0
Lib Atom 1Id C:LIB_ATOM_1_ID, S:10, A:0.0	The database identifier of the Lib Atom 1
Lib Atom 2Id C:LIB_ATOM_2_ID, S:10, A:0.0	The database identifier of the Lib Atom 2
Lib Atom 3Id C:LIB_ATOM_3_ID, S:10, A:0.0	The database identifier of the Lib Atom 3
Angle C:VALUE_ANGLE, S:0, A:0.0	The ideal value for the angle
Angle ESD C:VALUE_ANGLE_ESD, S:0, A:0.0
of related	Reverse relation:has of Reverse entity:Reference libraries - Relation attributes:Data Source Id

Torsion angle type Statistical reference information about torsion angles (the angles between the two planes defined) formed by 4 atoms depending on their energy types Reference attributes:Lib Tors Id - Naming attributes:Data Source Name,Data Source Version,1st atom type,2nd atom type,3rd atom type,4th atom type
Lib Tors Id C:LIB_TORS_ID, S:10, A:0.0	The database identifier of the Lib Tors
Data Source Name C:DATA_SOURCE_NAME, S:20, A:0.0	The data source (library) that defines the energy type information
Data Source Version C:DATA_SOURCE_VERSION, S:8, A:0.0	The version of the data source (library) that defines the energy type information
1st atom type C:LIB_ATOM_1_NAME, S:8, A:0.0
2nd atom type C:LIB_ATOM_2_NAME, S:8, A:0.0
3rd atom type C:LIB_ATOM_3_NAME, S:8, A:0.0
4th atom type C:LIB_ATOM_4_NAME, S:8, A:0.0
Constant C:CONST, S:0, A:0.0	The force constant, determines the strength of the angle
Data Source Id C:DATA_SOURCE_ID, S:10, A:0.0	The database identifier of the Data Source
Details C:DETAILS, S:4000, A:0.0	Details and examples for the angle type
Energy C:ENERGY, S:0, A:0.0	The energy of the torsion angle
Topological Context C:LIB_ATOM_TOPOLOGICAL_CONTEXT, S:240, A:0.0
Lib Atom 1Id C:LIB_ATOM_1_ID, S:10, A:0.0	The database identifier of the Lib Atom 1
Lib Atom 2Id C:LIB_ATOM_2_ID, S:10, A:0.0	The database identifier of the Lib Atom 2
Lib Atom 3Id C:LIB_ATOM_3_ID, S:10, A:0.0	The database identifier of the Lib Atom 3
Lib Atom 4Id C:LIB_ATOM_4_ID, S:10, A:0.0	The database identifier of the Lib Atom 4
Period C:PERIOD, S:1, A:0.0	Integer value that determines the number of periods in the range 0 to 180 degrees
Angle C:VALUE_ANGLE, S:0, A:0.0	The ideal value for the torsion angle
Angle ESD C:VALUE_ANGLE_ESD, S:0, A:0.0
2nd related	Reverse relation:2nd of of Reverse entity:Atom type - Relation attributes:Lib Atom 2Id
1st related	Reverse relation:1st of of Reverse entity:Atom type - Relation attributes:Lib Atom 1Id
4th related	Reverse relation:4th of of Reverse entity:Atom type - Relation attributes:Lib Atom 4Id
3rd related	Reverse relation:3nd of of Reverse entity:Atom type - Relation attributes:Lib Atom 3Id
of related	Reverse relation:has of Reverse entity:Reference libraries - Relation attributes:Data Source Id

Improper angle type Statistical reference information about improper angles. These are similar to torsion angles, but use a different set of parameters. As in a torsion angle, the improper angle is defined by the angle between the planes made by 4 atoms but allow to specify a cosine expansion for the improper angle potential energy. Reference attributes:Lib Improper Id - Naming attributes:Data Source Name,Data Source Version,1st atom type,2nd atom type,3rd atom type,4th atom type
Lib Improper Id C:LIB_IMPROPER_ID, S:10, A:0.0	The database identifier of the Lib Improper
Data Source Name C:DATA_SOURCE_NAME, S:20, A:0.0	The data source (library) that defines the energy type information
Data Source Version C:DATA_SOURCE_VERSION, S:8, A:0.0	The version of the data source (library) that defines the energy type information
1st atom type C:LIB_ATOM_1_NAME, S:8, A:0.0
2nd atom type C:LIB_ATOM_2_NAME, S:8, A:0.0
3rd atom type C:LIB_ATOM_3_NAME, S:8, A:0.0
4th atom type C:LIB_ATOM_4_NAME, S:8, A:0.0
Data Source Id C:DATA_SOURCE_ID, S:10, A:0.0	The database identifier of the Data Source
Details C:DETAILS, S:4000, A:0.0	Details and examples for the angle type
Energy C:ENERGY, S:0, A:0.0	The energy of the torsion angle
Improper Type C:IMPROPER_TYPE, S:6, A:0.0
Topological Context C:LIB_ATOM_TOPOLOGICAL_CONTEXT, S:240, A:0.0
Lib Atom 1Id C:LIB_ATOM_1_ID, S:10, A:0.0	The database identifier of the Lib Atom 1
Lib Atom 2Id C:LIB_ATOM_2_ID, S:10, A:0.0	The database identifier of the Lib Atom 2
Lib Atom 3Id C:LIB_ATOM_3_ID, S:10, A:0.0	The database identifier of the Lib Atom 3
Lib Atom 4Id C:LIB_ATOM_4_ID, S:10, A:0.0	The database identifier of the Lib Atom 4
Angle C:VALUE_ANGLE, S:0, A:0.0
of related	Reverse relation:has of Reverse entity:Reference libraries - Relation attributes:Data Source Id
2nd related	Reverse relation:2nd of of Reverse entity:Atom type - Relation attributes:Lib Atom 2Id
4th related	Reverse relation:4th of of Reverse entity:Atom type - Relation attributes:Lib Atom 4Id
3nd related	Reverse relation:3rd of of Reverse entity:Atom type - Relation attributes:Lib Atom 3Id
1st related	Reverse relation:1st of of Reverse entity:Atom type - Relation attributes:Lib Atom 1Id

Van der wall type Statistical reference information about Van der Waal forces between atoms depending on their energy types Reference attributes:Lib Vdw Id - Naming attributes:Data Source Name,Data Source Version,Acceptor type,Donor type
Lib Vdw Id C:LIB_VDW_ID, S:10, A:0.0	The database identifier of the Lib Vdw
Data Source Name C:DATA_SOURCE_NAME, S:20, A:0.0	The data source (library) that defines the energy type information
Data Source Version C:DATA_SOURCE_VERSION, S:8, A:0.0	The version of the data source (library) that defines the energy type information
Acceptor type C:LIB_ATOM_ACCEPTOR_NAME, S:8, A:0.0
Donor type C:LIB_ATOM_DONOR_NAME, S:8, A:0.0
Data Source Id C:DATA_SOURCE_ID, S:10, A:0.0	The database identifier of the Data Source
Details C:DETAILS, S:4000, A:0.0
Minimum Energy C:ENERGY_MIN, S:0, A:0.0
Lib Atom Acceptor Id C:LIB_ATOM_ACCEPTOR_ID, S:10, A:0.0	The database identifier of the Lib Atom Acceptor
Lib Atom Donor Id C:LIB_ATOM_DONOR_ID, S:10, A:0.0	The database identifier of the Lib Atom Donor
Topological Context C:LIB_ATOM_TOPOLOGICAL_CONTEXT, S:240, A:0.0
Minimum Radius C:VALUE_RADIUS_MIN, S:0, A:0.0
Hydrogen Flag C:VDW_H_FLAG, S:1, A:0.0
acceptor related	Reverse relation:acceptor of Reverse entity:Atom type - Relation attributes:Lib Atom Acceptor Id
of related	Reverse relation:has of Reverse entity:Reference libraries - Relation attributes:Data Source Id
donor related	Reverse relation:donor of Reverse entity:Atom type - Relation attributes:Lib Atom Donor Id

Hydrogen bond type Statistical reference information about hydrogen bonds between atoms depending on their energy types Reference attributes:Lib Hbond Id - Naming attributes:Data Source Name,Data Source Version,Acceptor type,Topological Context
Lib Hbond Id C:LIB_HBOND_ID, S:10, A:0.0	The database identifier of the Lib Hbond
Data Source Name C:DATA_SOURCE_NAME, S:20, A:0.0	The data source (library) that defines the energy type information
Data Source Version C:DATA_SOURCE_VERSION, S:8, A:0.0	The version of the data source (library) that defines the energy type information
Acceptor type C:LIB_ATOM_ACCEPTOR_NAME, S:8, A:0.0
Topological Context C:LIB_ATOM_TOPOLOGICAL_CONTEXT, S:240, A:0.0
Data Source Id C:DATA_SOURCE_ID, S:10, A:0.0	The database identifier of the Data Source
Details C:DETAILS, S:4000, A:0.0
Minimum Energy C:ENERGY_MIN, S:0, A:0.0
Lib Atom Acceptor Id C:LIB_ATOM_ACCEPTOR_ID, S:10, A:0.0	The database identifier of the Lib Atom Acceptor
Lib Atom Donor Id C:LIB_ATOM_DONOR_ID, S:10, A:0.0	The database identifier of the Lib Atom Donor
Donor type C:LIB_ATOM_DONOR_NAME, S:8, A:0.0
Bond length C:VALUE_DIST, S:0, A:0.0
of related	Reverse relation:has of Reverse entity:Reference libraries - Relation attributes:Data Source Id
acceptor related	Reverse relation:acceptor of of Reverse entity:Atom type - Relation attributes:Lib Atom Acceptor Id
donor related	Reverse relation:donor of of Reverse entity:Atom type - Relation attributes:Lib Atom Donor Id

Non bonded Statistical reference information about interactions of atoms which are not linked by covalent bonds, depending on their energy types Reference attributes:Lib Nonbonded Id - Naming attributes:Data Source Name,Data Source Version,Atom type
Lib Nonbonded Id C:LIB_NONBONDED_ID, S:10, A:0.0	The database identifier of the Lib Nonbonded
Data Source Name C:DATA_SOURCE_NAME, S:20, A:0.0	The data source (library) that defines the energy type information
Data Source Version C:DATA_SOURCE_VERSION, S:8, A:0.0	The version of the data source (library) that defines the energy type information
Atom type C:LIB_ATOM_NAME, S:8, A:0.0
Data Source Id C:DATA_SOURCE_ID, S:10, A:0.0	The database identifier of the Data Source
Details C:DETAILS, S:4000, A:0.0
Eps 1_4 C:EPS_1_4, S:0, A:0.0
Epsilon C:EPSILON, S:0, A:0.0
Lib Atom Id C:LIB_ATOM_ID, S:10, A:0.0	The database identifier of the Lib Atom
Topological Context C:LIB_ATOM_TOPOLOGICAL_CONTEXT, S:240, A:0.0
R Min Half C:R_MIN_HALF, S:0, A:0.0
R Min Half 1_4 C:R_MIN_HALF_1_4, S:0, A:0.0
of related	Reverse relation:has of Reverse entity:Atom type - Relation attributes:Lib Atom Id
of related	Reverse relation:of of Reverse entity:Reference libraries - Relation attributes:Data Source Id

Atom type mapping Provides mappings between different atom energy types. All different libraries provide mappings with the superset EPDBe library. Energy types are assigned to atoms for the EPDBe library only, and these are forwarded to all other libraries (like CCP4 and CNS) by using these mappings Reference attributes:Lib Atom Map Id - Naming attributes:Parent Data Source Name,Parent Data Source Name,Parent Data Source Version,Parent Data Source Version,Parent atom type name,Parent atom type name
Lib Atom Map Id C:LIB_ATOM_MAP_ID, S:10, A:0.0	The database identifier of the Lib Atom Map
Data Source Name C:DATA_SOURCE_NAME, S:20, A:0.0	The data source (library) that defines the energy type information
Parent Data Source Name C:PARENT_DATA_SOURCE_NAME, S:20, A:0.0
Data Source Version C:DATA_SOURCE_VERSION, S:8, A:0.0	The version of the data source (library) that defines the energy type information
Parent Data Source Version C:PARENT_DATA_SOURCE_VERSION, S:8, A:0.0
Atom type name C:LIB_ATOM_NAME, S:8, A:0.0
Parent atom type name C:PARENT_LIB_ATOM_NAME, S:8, A:0.0
Lib Atom Id C:LIB_ATOM_ID, S:10, A:0.0	The database identifier of the Lib Atom
Topological Context C:LIB_ATOM_TOPOLOGICAL_CONTEXT, S:240, A:0.0	Topological context label of the energy type that may affect its behaviour
Parent Lib Atom Id C:PARENT_LIB_ATOM_ID, S:10, A:0.0	The database identifier of the Parent Lib Atom
Parent Topological Context C:PARENT_TOPOLOGICAL_CONTEXT, S:240, A:0.0
maps related	Reverse relation:type of Reverse entity:Atom type - Relation attributes:Lib Atom Id
parent related	Reverse relation:parent of Reverse entity:Atom type - Relation attributes:Parent Lib Atom Id