Welcome to abcd’s documentation!¶
Goal:
easy installation (docker support)
easy to use (python classes for notebooks and command line for scripts)
secure (api instead of direct db access, https)
flexible (server-client application, flask blueprints)
scalable database (nosql like mongodb)
Quick start/Basic usage¶
Installation:
python setup.py install
usage:
with ABCD(url='http://localhost:5000/api') as db:
results = db.search('formula=Fe3O1;elements=[Fe,*];n_atoms=10,pbc;metadata.collection=iron')
local_db = [db.get_atoms(id) for id in results]