Extract Ions from CCD

The Chemical Component Dictionary (CCD) is as an external reference file describing all residue and small molecule components found in PDB entries.

This script extracts all ions from the CCD and provides their names as TypeScript set.

Example

node --max-old-space-size=4096 lib/commonjs/cli/chem-comp-dict/create-ions.js src/mol-model/structure/model/types/ions.ts

Usage

Argument	Description
out	Generated file output path
--forceDownload, -f	Force download of CCD

create-ions.js [-h] [--forceDownload] out