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 prevent this from happening? This isn't very 
> satisfactory of you wish to produce figures for a presentation or for 
> publication.
> 

Is this a fish of the month? It looks like you are drawing a mol file
(with bond lengths equal to 1). Is that right? You need to convert it
to a 3D molecule using Acedrg or some such.

Paul.

########################################################################

To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1

This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list 
hosted by www.jiscmail.ac.uk, terms & conditions are available at 
https://www.jiscmail.ac.uk/policyandsecurity/

Reply via email to