Dear OpenBabel users,
Good evening, I have trouble when I am converting sdf to mol2 or PDBQT. I
lost "Remark name= " information.
I have try using "babel in-stock.mol2 ZINC15.pdbqt"
or "obabel -i sdf in-stock.sdf -o mol2 -O ZINC15.pdbqt".
Do you know what happened? or how I could fix this
Good suggestion. I actually did try that, but discovered it too has some
problems with bond-order perception in simple polypeptides.
Also discovered that Chimera can't display bond orders, but Jmol can.
For the time being, I've found a structure I can use that I assigned and fixed
in the old In
Dear Richard,
Others might know more, but as a workaround you might try UCSF Chimera
in order
to do the PDB to MOL2 conversion.
Regards,
F.
On 09/07/2021 19:52, Richard Gillilan wrote:
Hello all,
I'm actually back to this list after nearly twenty years. Nice to see
this package is still act
