New features:
(1) Allow asymmetric cores and change the rules of nomenclature of dummy atoms for input residue SMILES.
(2) Preparation of complexation between the receptor (gamma-CD) and ditopic molecules.
(3) Build a baby version of the residue database.
New features: (1) Allow asymmetric cores and change the rules of nomenclature of dummy atoms for input residue SMILES. (2) Preparation of complexation between the receptor (gamma-CD) and ditopic molecules. (3) Build a baby version of the residue database.