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This function converts peptides with aminoacid one-letter abbreviations into smiles strings to represent the structure.
aaSMILES(seq)
character vector with smiles strings
character vector with one-letter aminoacid codes
The output can be stored in a .smi file and converted using openbabel to drawings of the peptides.
aaSMILES("AA") # [1] "N[C@]([H])(C)C(=O)N[C@]([H])(C)C(=O)O" aaSMILES(c("AA", "GG")) # [1] "N[C@]([H])(C)C(=O)N[C@]([H])(C)C(=O)O" "NCC(=O)NCC(=O)O"
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