[Open Babel] Obminimize

Hi Noel, I tried to minimize ligands using obminimize when using earlier versions of obminimize after converged the output file will be redirected to a pdb file format. But when I tried using obminimize of openbabel version 2.4.0 even after convergence it performs minimization till the completion

[Open Babel] Conformer generation

Hi all, I had recently installed obabel-2.4.0 and trying to generate conformer for a molecule. The --conformer flag when I used didn't generate any conformations and produced single molecule file. obabel test.mol2 -O ga_conf.mol2 --conformer --nconf 10 --writeconformers 1 molecule converted And

[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