cdkFormula-class: Class cdkFormula, ac class for handling molecular formula
In rcdk: Interface to the 'CDK' Libraries
cdkFormula-class R Documentation
Class cdkFormula, ac class for handling molecular formula
Description
This class handles molecular formulae. It provides extra
information such as the IMolecularFormula Java object, elements contained
and number of them.
Objects from the Class
Objects can be created using new constructor and filled with a specific
mass and window accuracy
Author(s)
Miguel Rojas-Cherto (miguelrojasch@yahoo.es)
References
A parallel effort to expand the Chemistry Development
Kit: https://cdk.github.io/
See Also
get.formula
set.charge.formula
get.isotopes.pattern
isvalid.formula
rcdk documentation built on July 9, 2023, 7:27 p.m.
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| cdkFormula-class | R Documentation |
Class cdkFormula, ac class for handling molecular formula
Description
This class handles molecular formulae. It provides extra information such as the IMolecularFormula Java object, elements contained and number of them.
Objects from the Class
Objects can be created using new constructor and filled with a specific mass and window accuracy
Author(s)
Miguel Rojas-Cherto (miguelrojasch@yahoo.es)
References
A parallel effort to expand the Chemistry Development Kit: https://cdk.github.io/
See Also
get.formula
set.charge.formula
get.isotopes.pattern
isvalid.formula
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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