On Thu, 2021-04-01 at 15:02 +0200, Fred Vellieux wrote:
> Hello there,
>
> After running autodock vina on certain small molecules, the graphics
> software I am using (e.g. Pymol, Coot) draws far too many bonds on the
> docked small molecule. See enclosed screen capture.
>
> Is there any way to
Hi Fred,
At least Schrodinder's PyMOL 2.3.2 can open Vina's PDBQR files (with
multiple docked conformations) without any problems or additional CIFs
in my experience. Different conformations of ligands are loaded as
different states.
It if is an older version you could try to convert Vina's PDBQR
obbie
>
> > -Original Message-
> > From: CCP4 bulletin board On Behalf Of Fred
> > Vellieux
> > Sent: Thursday, April 1, 2021 15:02
> > To: CCP4BB@JISCMAIL.AC.UK
> > Subject: [ccp4bb] coot & other graphics programs draw too many bonds
> >
> > H
> -Original Message-
> From: CCP4 bulletin board On Behalf Of Fred
> Vellieux
> Sent: Thursday, April 1, 2021 15:02
> To: CCP4BB@JISCMAIL.AC.UK
> Subject: [ccp4bb] coot & other graphics programs draw too many bonds
>
> Hello there,
>
> After running autodock vi
Hello there,
After running autodock vina on certain small molecules, the graphics
software I am using (e.g. Pymol, Coot) draws far too many bonds on the
docked small molecule. See enclosed screen capture.
Is there any way to prevent this from happening? This isn't very
satisfactory of you wi
