Slot: system_charge

Total electrostatic charge of the system given by the elementary charge (e).

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

Applicable Classes

Name

Description

Modifies Slot

Particles

Particle information included in the topology

no

Properties

Type and Range

Property

Value

Range

ChargeQuantity

Domain Of

Particles

Cardinality and Requirements

Property

Value

Value Constraints

Property

Value

Regex Pattern

^[+-]?\d+(\.\d+)?$

Identifier and Mapping Information

Annotations

property

value

engine_mapping

[{‘engine’: ‘toptrajparser’, ‘key’: ‘system_charge’, ‘unit’: ‘e’}]

Schema Source

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

Mappings

Mapping Type

Mapped Value

self

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

native

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

LinkML Source

name: system_charge
annotations:
  engine_mapping:
    tag: engine_mapping
    value:
    - engine: toptrajparser
      key: system_charge
      unit: e
description: Total electrostatic charge of the system given by the elementary charge
  (e).
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
rank: 1000
domain_of:
- Particles
range: ChargeQuantity
pattern: ^[+-]?\d+(\.\d+)?$