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