Name : VCS_cansmi Synopsis : dt_Handle VCS_cansmi ( len, smi ) int len, char *smi Arguments : len, Length of SMILES string smi SMILES string Description : Converts a SMILES string into a sequence of SMILES string objects normalised according to a set of rules classified as Make molecule ionic. Ensure as far as possible that input molecules do not have bonds to alkali metals etc. Fix_charge_separation. Put nitro groups etc into the uncharged forms. Remove_charges. Ensure as far as possible that the components of the molecule have minimum charges by removing or adding protons. The resultant molecule is canonicalized and returned as a sequence of string objects. Restriction : Error : Related Modules :