protr (version 1.4-1)

OptAA3d: OptAA3d.sdf - 20 Amino Acids Optimized with MOE 2011.10 (Semiempirical AM1)

Description

OptAA3d.sdf - 20 Amino Acids Optimized with MOE 2011.10 (Semiempirical AM1)

Examples

# NOT RUN {
# This operation requires the rcdk package
# require(rcdk)
# optaa3d = load.molecules(system.file("sysdata/OptAA3d.sdf", package = "protr"))
# view.molecule.2d(optaa3d[[1]])  # view the first AA
# }