OptAA3d: OptAA3d.sdf - 20 Amino Acids Optimized with MOE 2011.10...
In nanxstats/Rcpi: Molecular Informatics Toolkit for Compound-Protein Interaction in Drug Discovery
OptAA3d R Documentation
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)
Details
OptAA3d.sdf - 20 Amino Acids Optimized with MOE 2011.10 (Semiempirical AM1)
Value
OptAA3d data
Examples
# 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
nanxstats/Rcpi documentation built on Sept. 24, 2024, 9:36 a.m.
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| OptAA3d | R Documentation |
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)
Details
OptAA3d.sdf - 20 Amino Acids Optimized with MOE 2011.10 (Semiempirical AM1)
Value
OptAA3d data
Examples
# 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
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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