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reflex3d's Introduction

Reflex3D

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 [email protected] or Jonas at [email protected].

Please see the file LICENSE for licensing information.

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