The Molecular Graphics Laboratory Forum

H-bond donors
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Author:  knoxas [ Fri Mar 26, 2010 4:53 pm ]
Post subject:  H-bond donors

Hi Rodney
I am using Autoligand at the moment and wondered if you could point me to a reason why it seems to map acceptor and hydrophobic regions very well but not h-bond donor regions so well? I have followed the procedure in your tutorial as far as I can see. Maybe you have a suggestion,
Many Thanks

Author:  jheugher1 [ Tue Nov 02, 2010 9:18 am ]
Post subject:  Re: H-bond donors

Most of these errors tend to be something small in the execution. Try running it again and if the problem persists, can you be more specific about what isn't happening that you expect to happen. Happy to help. :ugeek:

Author:  stefano [ Wed Dec 08, 2010 2:15 am ]
Post subject:  Re: H-bond donors

Hi Knoxas,

could you please explain what kind of result you get and how this is not satisfactory for you? Any details about the target will be helpful.


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