exactMass_OB: Exact Mass (Monoisotopic Mass)
In ChemmineOB: R interface to a subset of OpenBabel functionalities
Description
Usage
Arguments
Value
Author(s)
Examples
Description
Computes the exact mass of each compound given.
Usage
1
exactMass_OB(obmolRefs)
Arguments
obmolRefs
A list of OBMol references ( of class '_p_OpenBabel__OBMol') representing the compounds.
Value
A vector of mass values.
Author(s)
Kevin Horan
Examples
1
2
3
4
5
## Not run:
molRefs = forEachMol("SMILES","C1CCCCC1\ttest-compound-name",identity)
exactMass_OB(molRefs)
## End(Not run)
ChemmineOB documentation built on April 13, 2021, 6:03 p.m.
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Description Usage Arguments Value Author(s) Examples
Description
Computes the exact mass of each compound given.
Usage
1 | exactMass_OB(obmolRefs)
|
Arguments
obmolRefs |
A list of OBMol references ( of class '_p_OpenBabel__OBMol') representing the compounds. |
Value
A vector of mass values.
Author(s)
Kevin Horan
Examples
1 2 3 4 5 | ## Not run:
molRefs = forEachMol("SMILES","C1CCCCC1\ttest-compound-name",identity)
exactMass_OB(molRefs)
## End(Not run)
|
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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