OptAA3d: OptAA3d.sdf - 20 Amino Acids Optimized with MOE 2011.10...
In Rcpi: Molecular Informatics Toolkit for Compound-Protein Interaction in Drug Discovery
Description
Details
Value
Examples
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
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# 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
Rcpi documentation built on Nov. 8, 2020, 8:23 p.m.
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Description Details Value Examples
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
1 2 3 4 | # 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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