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PostPosted: Thu Jul 30, 2009 3:05 pm 
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Joined: Thu Jul 30, 2009 3:01 pm
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Hi,

I am using autodock 4.2. I would like to why docked conformations produced from autodock do not show bond order?

Thanks in advance


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PostPosted: Tue Aug 04, 2009 6:06 pm 
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Hi,
To display bond order for docked conformations, follow these two extra steps:

After loading your dlg result into ADT with Analyze->Dockings->Open....
1. Type the bonds in the ligand to distinguish between single and double bonds:
Edit->Bonds->Type
in the 'Type bonds' widget which opens, choose 'With Rings' and press 'OK'
2. Redisplay the lines:
Display->Lines
in the 'Display Lines:' widget choose 'show BondOrder' and press 'OK'

Best wishes,
Ruth


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