[Open Babel] Atomic charge changed during conversion from pdb to mol2

Dear open babel community I used MOPAC to minimize the ligand and obtain the output in PDB format with atomic charges. When I converted the PDB file to mol2 using babel the atomic charges were found to be modified. Can anyone help me to preserve the charges during conversion or any other mode of w

Re: [Open Babel] Atomic charge changed during conversion from pdb to mol2

Hi, the PDB format doesn't support partial charges, so I suspect the one you write is not a standard one and will not be recognized by the OpenBabel parser. Therefore, when generating the Mol2 file, the default charges (Gasteiger, I believe) will be assigned. My advice would be to convert direct