formula2mass

a character string containing a chemical formula on the form: 'C3 H5 N O1'.

form

logical, should the mass of each element be summed.

sum.mass

Compute the molar mass associated to a chemical formula.

utilities

Utilities to process, organize and explore protein structure, sequence and dynamics data.  Features include the ability to read and write structure, sequence and dynamic trajectory data, perform sequence and structure database searches, data summaries, atom selection, alignment, superposition, rigid core identification, clustering, torsion analysis, distance matrix analysis, structure and sequence conservation analysis, normal mode analysis, principal component analysis of heterogeneous structure data, and correlation network analysis from normal mode and molecular dynamics data.  In addition, various utility functions are provided to enable the statistical and graphical power of the R environment to work with biological sequence and structural data.  Please refer to the URLs below for more information.

formula2mass: Chemical Formula to Mass Converter

Description

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See Also

Examples