[Dock-fans] DOCK6.7 protein contain waters
Trent E. Balius
tbalius at aol.com
Wed May 18 08:31:26 PDT 2016
The best way to include water in your docking is to include them as part of your receptor.
I would recommend using chimera to prepare your receptor.
Remove all water except those that you want to include.
Then do one of the following:
(1) You can use the DockPrep tool be sure to deselect the "Delete solvent" option.
(2) Or you could add hydrogen and charges and then save as a mol2 file yourself.
You can then give this mol2 file to DOCK's grid program.
Trent E. Balius, PhD
Postdoc, Shoichet Lab,
Dept. Pharm. Chem., UCSF
Phone: (415) 514-4253
From: 钟海洋 <zhonghy14 at lzu.edu.cn>
To: dock-fans <dock-fans at docking.org>
Sent: Wed, May 18, 2016 1:56 am
Subject: [Dock-fans] DOCK6.7 protein contain waters
I want to use the DOCK6.7 to perform docking proteins with waters, but I didn`t find the examples about that. Could DOCK6.7 dock
proteins with waters?
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