Molecular mass of proteins and peptides

Specific Domains Biology, Health, and Medicine
5

Well, that was really easy (not surprisingly) to implement in PDBTools. Now you can do (with version 0.12.12, which will be available at any moment):

julia> using PDBTools

julia> seq = "ATVR"
"ATVR"

julia> mass(Sequence(seq))
427.4986

julia> seq = ["ARG", "THR", "GLU"]
3-element Vector{String}:
 "ARG"
 "THR"
 "GLU"

julia> mass(Sequence(seq))
386.4036

It does not handle terminals in any sense, it is just the sum of the average mass (isopically speaking) of the amino acid residues in the sequence.

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