Magnetism, Spectroscopy, Theory
AtomAccess is a ray-tracing program that assesses the steric hindrance at any atom in a molecule or molecular fragment. AtomAccess is written in Python and has been tested on Windows, MacOS and Linux. It is also available as a handy web tool.
Gemma K. Gransbury, Jon G. C. Kragskow and Nicholas F. Chilton
email: email@example.com, firstname.lastname@example.org and email@example.com
AtomAccess is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
AtomAccess is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
We request that any results obtained through the use of AtomAccess are accompanied by the following reference: G. K. Gransbury, S. C. Corner, J. G. C. Kragskow, P. Evans, H. M. Yeung, W. J. A. Blackmore, G. F. S. Whitehead, I. J. Vitorica-Yrezabal, N. F. Chilton and D. P. Mills, AtomAccess: A predictive tool for molecular design and its application to the targeted synthesis of dysprosium single-molecule magnets, ChemRxiv, 2023
Gitlab Repository (Python)