httk
httk property definitionsProperty definitions using the OPTIMADE property definition format, hosted by httk
Note: prerelease version v0.1, subject to change

is chiral (property)

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:

Formats: [JSON] [MD]

JSON 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
    ]
}