3D Descriptors for 20 Amino Acids calculated by MOE 2011.10

This dataset includes the 3D descriptors of the 20 amino acids calculated by MOE 2011.10 used for scales extraction in this package. All amino acid molecules had also been optimized with MOE (semiempirical AM1) before calculating these 3D descriptors. The SDF file containing the information of the optimized amino acid molecules is included in this package. See OptAA3d for more information.

Examples

data(AAMOE3D)