| aaSMILES {Peptides} | R Documentation |
This function converts peptides with aminoacid one-letter abbreviations into smiles strings to represent the structure.
aaSMILES(seq)
seq |
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.
character vector with smiles strings
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"