Hi Eduardo,
As I understand - you are trying to read back Vina docked conformers of
your small molecules.
Maybe I can suggest a different approach, which I implemented in ODDT.
Instead of reading back the molecules and recreating bonds, you could read
back just the 3D conformer onto an original mo
Hi OpenBabels users,
Nice to join the community.
I would like to convert pdbqt file to sdf file without using openbabel
itself. I mean why should my project has another dependency just to do a
single task. So I look into OpenBabel code and I finally found this (
https://github.com/openbabel/openbab
