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 Post subject: error message on mac osX
PostPosted: Tue Aug 18, 2009 3:25 am 
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Joined: Fri Aug 14, 2009 3:39 am
Posts: 51
Location: bangkok thailand
I try to export ligand t pdbqt format, but, if i add hydrogen to the ligand i can't export it.
Code:
[quote="sargis"][quote="zeromtmu"]Thank for answer, now i can run autogrid.
[/quote]
Thanks for the message. I'm glad that it worked.
[quote="zeromtmu"]
Can i export receptor-ligand dock conformation that can open in other program such as Autodock tool?
[/quote]
Right-click (or Control-click on Mac, depending on your system preferences)  on a molecule under Molecules tab and save it as pdb. So when you have your desired conformation selected under Analyze Results tab, right-click on the name of your ligand under Molecules tab and use "Save as PDB" option. This would save that particular conformation you see on the screen. Do the same thing for protein and then use text editor under Documents tab (or any other text editor of your choice) to merge these files together.

Please let me know if you have questions or need more information. Thanks![/quote]

Could i add hydrogen to a ligand, is it have to or not need for run docking.

Thank,
Naravut


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