Skip to main content


Fig. 7 | Journal of Cheminformatics

Fig. 7

From: BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library

Fig. 7

The box plots show the diversity of generated molecular conformations depending on the number of rotatable bonds. The upper and lower edges of box correspond to the first and third quartiles. The horizontal dash in the box represents the median value. The whiskers extend from edge to highest/lowest value that is within 1.5 × Inter-Quartile (IQR) of the box, where IQR is the distance between the first and third quartile. a Conformation diversity produced by different methods, b conformation diversity obtained by using different flavors of BCL

Back to article page