get.stereo.types: Obtain the stereocenter type for atom.
In rcdk: Interface to the 'CDK' Libraries
get.stereo.types R Documentation
Obtain the stereocenter type for atom.
Description
Supported stereo center types are
- True
the atom has constitutionally different neighbors
- Para
the atom resembles a stereo centre but has constitutionally equivalent neighbors (e.g. inositol, decalin). The stereocenter depends on the configuration of one or more stereocenters.
- Potential
the atom can supported stereo chemistry but has not be shown ot be a true or para center
- Non
the atom is not a stereocenter (e.g. methane)
Usage
get.stereo.types(mol)
Arguments
mol
A jObjRef representing an IAtomContainer
Value
A factor of length equal in length to the number of atoms indicating the stereocenter type.
Author(s)
Rajarshi Guha rajarshi.guha@gmail.com
See Also
get.stereocenters, get.element.types
rcdk documentation built on July 9, 2023, 7:27 p.m.
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| get.stereo.types | R Documentation |
Obtain the stereocenter type for atom.
Description
Supported stereo center types are
- True
the atom has constitutionally different neighbors
- Para
the atom resembles a stereo centre but has constitutionally equivalent neighbors (e.g. inositol, decalin). The stereocenter depends on the configuration of one or more stereocenters.
- Potential
the atom can supported stereo chemistry but has not be shown ot be a true or para center
- Non
the atom is not a stereocenter (e.g. methane)
Usage
get.stereo.types(mol)
Arguments
mol |
A |
Value
A factor of length equal in length to the number of atoms indicating the stereocenter type.
Author(s)
Rajarshi Guha rajarshi.guha@gmail.com
See Also
get.stereocenters, get.element.types
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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