Tutorial: Using OpenEye software for substructure alignments and best-matching low-energy conformer overlays

I thought that it might be worthwhile to share this short tutorial as it might be useful to one or the other.

This quick guide is showing how to use OpenEye software command line tools to align target molecules to a query based on substructure matches and how to retrieve the best molecule overlay from two sets of low-energy conformer

[link to the complete article]

rmsd alignment openeye

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updated 3.4 years ago by Ram

• written 12.1 years ago by se.raschka

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