This is extracted from the project's URL (https://git.durrantlab.pitt.edu/jdurrant/gypsum_dl): ======= Gypsum-DL is a free, open-source program for preparing 3D small-molecule models. Beyond simply assigning atomic coordinates, Gypsum-DL accounts for alternate ionization, tautomeric, chiral, cis/trans isomeric, and ring-conformational forms. It is released under the Apache License, Version 2.0 ======= In other words, it takes molecules from 1D or 2D databases and converts them to 3D, dockable-ready structures. A very useful tool. Apparently, it depends on rdkit numpy scipy mpi4py.
