generate3DCoords


	Uses Open Babel to compute 3D coordinates given an SDFset with
	only 2D coordinates.


ChemmineR is a cheminformatics package for analyzing drug-like small molecule data in R. Its latest version contains functions for efficient processing of large numbers of molecules, physicochemical/structural property predictions, structural similarity searching, classification and clustering of compound libraries with a wide spectrum of algorithms. In addition, it offers visualization functions for compound clustering results and chemical structures.

Thomas Girke

ChemmineR

Cheminformatics Toolkit for R

generate3DCoords function

Uses Open Babel to compute 3D coordinates given an SDFset with
	only 2D coordinates.

generate3DCoords: Generate 3D Coords

Description

Usage

Arguments

Value

Examples