get.mol2formula: get.mol2formula
In rcdk: Interface to the 'CDK' Libraries
get.mol2formula R Documentation
get.mol2formula
Description
get.mol2formula
Usage
get.mol2formula(molecule, charge = 0)
Arguments
molecule
The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer'
charge
Optional. Default 0
rcdk documentation built on July 9, 2023, 7:27 p.m.
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| get.mol2formula | R Documentation |
get.mol2formula
Description
get.mol2formula
Usage
get.mol2formula(molecule, charge = 0)
Arguments
molecule |
The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer' |
charge |
Optional. Default |
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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