- changed status to resolved
Adding new amino acid masses to bio3d/inst/matrices/aa_mass.mat
Issue #72
resolved
I've made an R script to update file 'bio3d/inst/matrices/aa_mass.mat' for adding new amino acid residues - useful for calculating masses from formulas and format the 'aa_mass.mat' matrix. Should we add this under util/run_aa2mass.R? Then you just run this script, and 'bio3d/inst/matrices/aa_mass.mat' is reproduced. ?
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pushed it online now