cif-to-json

Parse CIF (Crystallographic Information File) files.

Installation

$ npm install cif-to-json

API Documentation

Example

import { cifParser } from 'cif-to-json';
 
result = cifParser(cifString);

The result will be an object in which

• the loops (loop_) are lists of objects. The main loop _atom_site might look like

 {
  _atom_site_label: 'In1',
  _atom_site_type_symbol: 'In',
  _atom_site_fract_x: '0.30475(3)',
  _atom_site_fract_y: '0.21073(1)',
  _atom_site_fract_z: '0.21076(2)'
},

• all headers are in the output with the original tag, from the CIF, e.g.,

{
  _cell_volume: '2999.477';
}

License

MIT