This page documents an OPTIMADE Property Definition. See https://schemas.optimade.org/ for more information.
ID: https://schemas.httk.org/defs/v0.1/properties/spacegroups/is_chiral
Definition name: is_chiral
Property name: is chiral
Description: Whether every operation of the space group preserves handedness, i.e. every linear part has determinant +1.
This is cctbx's is_chiral() convention and identifies the 65 Sohncke space-group types, excluding mirrors, inversion, glide reflections, and rotoinversions.
It does not mean that the space-group type belongs to one of the 11 enantiomorphic pairs; that is recorded by is_enantiomorphic.
It does not by itself determine the handedness or chirality of a molecular motif.
Type: boolean
Examples:
truefalseJSON definition:
{
"$id": "https://schemas.httk.org/defs/v0.1/properties/spacegroups/is_chiral",
"$schema": "https://schemas.optimade.org/meta/v1.3/optimade/property_definition.json",
"title": "is chiral",
"x-optimade-type": "boolean",
"x-optimade-definition": {
"kind": "property",
"version": "0.1.0",
"format": "1.3",
"name": "is_chiral",
"label": "is_chiral_spacegroups"
},
"type": [
"boolean",
"null"
],
"description": "Whether every operation of the space group preserves handedness, i.e. every linear part has determinant +1.\nThis is cctbx's `is_chiral()` convention and identifies the 65 Sohncke space-group types, excluding mirrors, inversion, glide reflections, and rotoinversions.\nIt does not mean that the space-group type belongs to one of the 11 enantiomorphic pairs; that is recorded by `is_enantiomorphic`.\nIt does not by itself determine the handedness or chirality of a molecular motif.",
"x-optimade-unit": "inapplicable",
"examples": [
true,
false
]
}