Table of Contents
Janocchio is typically used to find which steroisomers and/or conformers of a molecule best fit experimental NMR data. Necessary input is therefore a file containing at least one 3D structure of your compound, which must be generated using another program (see Obtaining 3D structures). XYZ and SD file formats are currently supported.
The following are three typical workflows for using Janocchio, in order of increasing difficulty.