I was recently asked for a component to generate SD files from amino acid sequences. I thought it might be of more general interest.
The attached component takes a sequence of 3-letter codes in the form XXX-YYY-ZZZ in a specified property and converts it to molecule.
The component works by subustituting the appropriate SMILES strings for the residues. As provided it covers the 20 standard amino acids but can easily be extended for others.
The component does not include any error checking.
The attached component takes a sequence of 3-letter codes in the form XXX-YYY-ZZZ in a specified property and converts it to molecule.
The component works by subustituting the appropriate SMILES strings for the residues. As provided it covers the 20 standard amino acids but can easily be extended for others.
The component does not include any error checking.
