AACPSA: CPSA Descriptors for 20 Amino Acids calculated by Discovery Studio
Description
This dataset includes the CPSA descriptors of the 20 amino acids
calculated by Discovery Studio (version 2.5) used for scales extraction
in this package.
Arguments
Details
All amino acid molecules had also been optimized with MOE 2011.10
(semiempirical AM1) before calculating these CPSA descriptors.
The SDF file containing the information of the optimized amino acid
molecules is included in this package. See OptAA3d
for more information.