About

This is a simple REST API interface to atomistictools.org website that allow to query the structdb database for crystallographic prototypes, structures, properties and calculators.

Installation or update

python setup.py install

Usage

You would require token to access the data.

from structdbrest import StructDBLightRester
rest = StructDBLightRester(token = "YOUR_ACCESS_TOKEN")

Please contact Yury Lysogorskiy (yury.lysogorskiy(at)rub.de), ICAMS, Ruhr University Bochum, Germany to get the token.

See notebooks/query-example.ipynb for usage examples