exactMass_OB: Exact Mass (Monoisotopic Mass)

Description Usage Arguments Value Author(s) Examples

View source: R/wrappers.R

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

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	molRefs = forEachMol("SMILES","C1CCCCC1\ttest-compound-name",identity)
	exactMass_OB(molRefs)

ChemmineOB documentation built on Nov. 1, 2018, 2:06 a.m.