bio3d: formula2mass – R documentation

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formula2mass

Chemical Formula to Mass Converter

Compute the molar mass associated to a chemical formula.

formula2mass(form, sum.mass = TRUE)

`form`	a character string containing a chemical formula on the form: 'C3 H5 N O1'.
`sum.mass`	logical, should the mass of each element be summed.

Compute the molar mass (in g.mol-1) associated to a chemical formula.

Return a single element numeric vector containing the mass corresponding to a given chemical formula.

Lars Skjaerven

#formula2mass("C5 H6 N O3")

Biological Structure Analysis

v2.4-2

GPL (>= 2)

Authors

Barry Grant [aut, cre], Xin-Qiu Yao [aut], Lars Skjaerven [aut], Julien Ide [aut]

Initial release