Class: PotentialMetadata¶

Potentials used for various modelled molecules.

URI: https://CCPBioSim.ac.uk/biosim-schema/PotentialMetadata

         classDiagram
    class PotentialMetadata
    click PotentialMetadata href "../../classes/PotentialMetadata/"
      PotentialMetadata : carbohydrate_potential
        
          
    
        
        
        PotentialMetadata --> "0..1" CarbohydratePotential : carbohydrate_potential
        click CarbohydratePotential href "../../classes/CarbohydratePotential/"
    

        
      PotentialMetadata : general_potential
        
          
    
        
        
        PotentialMetadata --> "0..1" GeneralPotential : general_potential
        click GeneralPotential href "../../classes/GeneralPotential/"
    

        
      PotentialMetadata : lipid_potential
        
          
    
        
        
        PotentialMetadata --> "0..1" LipidPotential : lipid_potential
        click LipidPotential href "../../classes/LipidPotential/"
    

        
      PotentialMetadata : machine_learned_potential
        
          
    
        
        
        PotentialMetadata --> "0..1" MachineLearnedPotential : machine_learned_potential
        click MachineLearnedPotential href "../../classes/MachineLearnedPotential/"
    

        
      PotentialMetadata : nucleic_potential
        
          
    
        
        
        PotentialMetadata --> "0..1" NucleicPotential : nucleic_potential
        click NucleicPotential href "../../classes/NucleicPotential/"
    

        
      PotentialMetadata : polymer_potential
        
          
    
        
        
        PotentialMetadata --> "0..1" PolymerPotential : polymer_potential
        click PolymerPotential href "../../classes/PolymerPotential/"
    

        
      PotentialMetadata : protein_potential
        
          
    
        
        
        PotentialMetadata --> "0..1" ProteinPotential : protein_potential
        click ProteinPotential href "../../classes/ProteinPotential/"
    

        
      PotentialMetadata : water_potential
        
          
    
        
        
        PotentialMetadata --> "0..1" WaterPotential : water_potential
        click WaterPotential href "../../classes/WaterPotential/"

Slots¶

Name	Cardinality and Range	Description	Inheritance
water_potential	0..1 WaterPotential	Force field for water molecules	direct
protein_potential	0..1 ProteinPotential	Force field for proteins	direct
lipid_potential	0..1 LipidPotential	Force field for lipids	direct
nucleic_potential	0..1 NucleicPotential	Force field for nucleic acids	direct
carbohydrate_potential	0..1 CarbohydratePotential	Force field for carbohydrates	direct
polymer_potential	0..1 PolymerPotential	Force field for polymers (excluding proteins and nucleic acids)	direct
general_potential	0..1 GeneralPotential	Force field for molecules (in general)	direct
machine_learned_potential	0..1 MachineLearnedPotential	ML force field for molecules (in general)	direct

Usages¶

used by	used in	type	used
SimulationMetadata	potentials	range	PotentialMetadata

Identifier and Mapping Information¶

Schema Source¶

from schema: https://CCPBioSim.ac.uk/biosim-schema/

Mappings¶

Mapping Type	Mapped Value
self	https://CCPBioSim.ac.uk/biosim-schema/PotentialMetadata
native	https://CCPBioSim.ac.uk/biosim-schema/PotentialMetadata

LinkML Source¶

Direct¶

name: PotentialMetadata
description: Potentials used for various modelled molecules.
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
slots:
- water_potential
- protein_potential
- lipid_potential
- nucleic_potential
- carbohydrate_potential
- polymer_potential
- general_potential
- machine_learned_potential

Induced¶

name: PotentialMetadata
description: Potentials used for various modelled molecules.
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
attributes:
  water_potential:
    name: water_potential
    description: Force field for water molecules.
    from_schema: https://CCPBioSim.ac.uk/biosim-schema/
    rank: 1000
    owner: PotentialMetadata
    domain_of:
    - PotentialMetadata
    range: WaterPotential
  protein_potential:
    name: protein_potential
    description: Force field for proteins.
    from_schema: https://CCPBioSim.ac.uk/biosim-schema/
    rank: 1000
    owner: PotentialMetadata
    domain_of:
    - PotentialMetadata
    range: ProteinPotential
  lipid_potential:
    name: lipid_potential
    description: Force field for lipids.
    from_schema: https://CCPBioSim.ac.uk/biosim-schema/
    rank: 1000
    owner: PotentialMetadata
    domain_of:
    - PotentialMetadata
    range: LipidPotential
  nucleic_potential:
    name: nucleic_potential
    description: Force field for nucleic acids.
    from_schema: https://CCPBioSim.ac.uk/biosim-schema/
    rank: 1000
    owner: PotentialMetadata
    domain_of:
    - PotentialMetadata
    range: NucleicPotential
  carbohydrate_potential:
    name: carbohydrate_potential
    description: Force field for carbohydrates.
    from_schema: https://CCPBioSim.ac.uk/biosim-schema/
    rank: 1000
    owner: PotentialMetadata
    domain_of:
    - PotentialMetadata
    range: CarbohydratePotential
  polymer_potential:
    name: polymer_potential
    description: Force field for polymers (excluding proteins and nucleic acids).
    from_schema: https://CCPBioSim.ac.uk/biosim-schema/
    rank: 1000
    owner: PotentialMetadata
    domain_of:
    - PotentialMetadata
    range: PolymerPotential
  general_potential:
    name: general_potential
    description: Force field for molecules (in general).
    from_schema: https://CCPBioSim.ac.uk/biosim-schema/
    rank: 1000
    owner: PotentialMetadata
    domain_of:
    - PotentialMetadata
    range: GeneralPotential
  machine_learned_potential:
    name: machine_learned_potential
    description: ML force field for molecules (in general).
    from_schema: https://CCPBioSim.ac.uk/biosim-schema/
    rank: 1000
    owner: PotentialMetadata
    domain_of:
    - PotentialMetadata
    range: MachineLearnedPotential