If you're only sampling 20 conformers, it's unlikely to be a global minima. It
will usually be a lower energy conformer than what you started.
Does it need to be further optimized? Well, usually yes, but it depends - the
weighted search option does minimize with the MMFF94 force field by default
Thank you for reading this email.I have a question to confirm:
I want to get the 3D coordinates of the molecules,after operations just like
your example:
obabelligand.babel.smi-Oligand.babel.sdf--gen3d--conformer--nconf20--weighted
Can we think of this conformation as the most stable conforma
