Slot: molecular_formula¶
_The molecular formula of a molecule_
URI: https://CCPBioSim.ac.uk/biosim-schema/molecular_formula
Applicable Classes¶
Name |
Description |
Modifies Slot |
|---|---|---|
Identifiers of a molecule type in the simulated system |
no |
Properties¶
Type and Range¶
Property |
Value |
|---|---|
Range |
|
Domain Of |
Cardinality and Requirements¶
Property |
Value |
|---|
Value Constraints¶
Property |
Value |
|---|---|
Regex Pattern |
|
Examples¶
Value |
|---|
C8H10N4O2 |
Identifier and Mapping Information¶
Annotations¶
property |
value |
|---|---|
engine_mapping |
[{‘engine’: ‘toptrajparser’, ‘key’: ‘molecular_formula’}] |
Schema Source¶
from schema: https://CCPBioSim.ac.uk/biosim-schema/
Mappings¶
Mapping Type |
Mapped Value |
|---|---|
self |
https://CCPBioSim.ac.uk/biosim-schema/molecular_formula |
native |
https://CCPBioSim.ac.uk/biosim-schema/molecular_formula |
LinkML Source¶
name: molecular_formula
annotations:
engine_mapping:
tag: engine_mapping
value:
- engine: toptrajparser
key: molecular_formula
description: The molecular formula of a molecule\
examples:
- value: C8H10N4O2
from_schema: https://CCPBioSim.ac.uk/biosim-schema/
rank: 1000
domain_of:
- MoleculeID
range: string
pattern: ^([A-Z][a-z]?\d*)+$