get.element.types: Obtain the type of stereo element support for atom.
In rcdk: Interface to the 'CDK' Libraries
get.element.types R Documentation
Obtain the type of stereo element support for atom.
Description
Supported elements types are
- Bicoordinate
an central atom involved in a cumulated system (not yet supported)
- Tricoordinate
an atom at one end of a geometric (double-bond) stereo bond or cumulated system
- Tetracoordinate
a tetrahedral atom (could also be square planar in future)
- None
the atom is not a (supported) stereo element type
Usage
get.element.types(mol)
Arguments
mol
A jObjRef representing an IAtomContainer
Value
A factor of length equal in length to the number of atoms, indicating the element type
Author(s)
Rajarshi Guha rajarshi.guha@gmail.com
See Also
get.stereocenters, get.stereo.types
rcdk documentation built on July 9, 2023, 7:27 p.m.
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| get.element.types | R Documentation |
Obtain the type of stereo element support for atom.
Description
Supported elements types are
- Bicoordinate
an central atom involved in a cumulated system (not yet supported)
- Tricoordinate
an atom at one end of a geometric (double-bond) stereo bond or cumulated system
- Tetracoordinate
a tetrahedral atom (could also be square planar in future)
- None
the atom is not a (supported) stereo element type
Usage
get.element.types(mol)
Arguments
mol |
A |
Value
A factor of length equal in length to the number of atoms, indicating the element type
Author(s)
Rajarshi Guha rajarshi.guha@gmail.com
See Also
get.stereocenters, get.stereo.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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