Software Components Incorporated in BMaps

This Web site builds upon 3DMol for molecular visualization:
Nicholas Rego and David Koes, "3Dmol.js: molecular visualization with WebGL", Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829.

This Web site includes the Ketcher 2D chemistry editor, supported by the Indigo toolkit.

This Web site uses LS-align for ligand alignment:
Jun Hu, Zi Liu, Dongjun Yu, Yang Zhang LS-align: an atom-level, flexible ligand structural alignment algorithm for high-throughput virtual screening. Bioinformatics, in press (2018).

This Web site uses SmilesDrawer for 2D visualization:
Daniel Probst and Jean-Louis Reymond, "SmilesDrawer: Parsing and Drawing SMILES-Encoded Molecular Structures Using Client-Side JavaScript", Journal of Chemical Information and Modeling (2018) 58 (1), 1-7 doi:10.1021/acs.jcim.7b00425.

This Web site incorporates Open Babel for file format conversion:
Noel M O'Boyle, Michael Banck, Craig A James, Chris Morley, Tim Vandermeersch and Geoffrey R Hutchison, "Open Babel: An open chemical toolbox", Journal of Cheminformatics (2011) (3) 33:

RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.

The analytic solvent-accessible algorithm adapted from MSL (Molecular Software Libraries)

Daniel W Kulp, Sabareesh Subramaniam, Jason E Donald, Brett T Hannigan, Benjamin K Mueller, Gevorg Grigoryan, Alessandro Senes
“Structural informatics, modeling, and design with an open-source Molecular Software Library (MSL).”, J Comput Chem: 2012, 33(20);1645-61

Eigen C++ template library for linear algebra was used for SVD in molecule alignment.