each time I use gold scaffold constrain ,I get this result
Scaffold constraint : Molecule_1.mol2
Scaffold constraint match weight : 10.000
Scaffold structure file : initialised
No substructure matches
Although the scaffold is part of the ligand and both ligand and scaffold were assigned using Charmm.....
I tried to dock x-ray complex ligand and set the scaffold to a part of it and get the same result.....
It seems that gold assign sybyl charge to the compounds and then compare it to the scaffold and find mismatch .....How to solve it???
