[Dock-fans] How do I do MULTIPLE DOCKING using DOCK6 ?

Trent E. Balius tbalius at aol.com
Sat Jun 27 05:58:42 PDT 2015


 Hi Garisekurthi, 

You will need to have your ligands all in one file: a multimol2 file. 
You should give dock your multimol2 file using the parameter "ligand_atom_file".
 I would recommend using flexible ligand docking (instead of rigid ligand docking) for most applications:
http://george.ams.sunysb.edu/SB2010/FLX.in

I hope that this helps,

Trent


======================================
Trent E. Balius, PhD
Postdoc, Shoichet Lab, 
Dept. Pharm. Chem., UCSF
Phone: (415) 514-4253
URL: http://docking.org/~tbalius
======================================

 

 

-----Original Message-----
From: Garisekurthi Satheesh <gschembio at uohyd.ac.in>
To: dock-fans <dock-fans at docking.org>
Sent: Fri, Jun 26, 2015 10:59 pm
Subject: [Dock-fans] How do I do MULTIPLE DOCKING using DOCK6 ?


 
  
   
Hello,    
    
   
I am new to DOCK6, I want to do docking of multiple ligands and I don’t understand how I can include multiple ligands in    rigid.in file. If I use path of ligands folder, it was not worked.   
   
  
  
Please give me your answer regarding multiple ligands processing and docking.   
  
  
   
  
  
Thanks   
   
  
    
 
 

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