3D flexible alignment of molecules.
This is the source code for the program Reflex3D, described in 'ReFlex3D: Refined Flexible Alignment of Molecules using Shape and Electrostatics', Thomas Christian Schmidt, David A Cosgrove and Jonas Bostrom, https://pubs.acs.org/doi/10.1021/acs.jcim.7b00618.
Run the script reflex3d.py for (rather limited) usage instructions. In case of problems, questions or suggestions, please contact Thomas at thomas.christian.schmidt@gmx.de or Jonas at jonas.bostrom@astrazeneca.com.
Please see the file LICENSE for licensing information.