This protocol writes canonical smiles for a set of input ligands. Ligands can be uploaded from an input file in any of the following formats:
MDL SD file format (.sdf/.sd)
Tripos Mol2 format (.mol2)
PDB file format (.pdb)
SMILES file format (.smi). The input SMILES string is retained the property Original_Smiles.
Accord file format (.acc/.acf)
ChemDraw file format (.cdx)
How to use:
(1) Down the attachment.
(2) Open Discovery Studio 2.0 client
(3) In the protocol explorer panel, right click at your
(4) Double click on the protocol to open its parameter explorer.