R/Rcpi-datalist.R
OptAA3d.Rd
OptAA3d.sdf - 20 Amino Acids Optimized with MOE 2011.10 (Semiempirical AM1)
OptAA3d data
OptAA3d.sdf - 20 Amino Acids Optimized with MOE 2011.10 (Semiempirical AM1)
# NOT RUN { # This example requires the rcdk package # library('rcdk') # optaa3d = load.molecules(system.file('sysdata/OptAA3d.sdf', package = 'Rcpi')) # view.molecule.2d(optaa3d[[1]]) # view the first amino acid # }