[Dock-fans] why there are more than 99999 spheres?

Sudipto Mukherjee sudmukh at yahoo.com
Tue Jan 15 03:34:52 PST 2008


Dear Yolanda,

I recommend keeping only the residues close to the binding site for sphgen. Make a new receptor file for sphgen which has just the residues which are 10A from the ligand, and run sphgen on it. 
 
Regards
Sudipto Mukherjee
Graduate Student, Robert C. Rizzo Lab
Dept. of Applied Math & Statistics, Stony Brook University
----- Original Message ----
From: 念 刘 <yolanda.only at yahoo.com.cn>
To: dock-fans <dock-fans at docking.org>
Sent: Tuesday, January 15, 2008 7:05:45 AM
Subject: [Dock-fans] why there are more than 99999 spheres?


Dear Dock Fans:
   
  I'm also a new student in dock.I tried dock with my receptor which has 385 residues.In first steps,it had no problem,but when running sphgen,there was an error.It generated more than 99999 spheres,but I don't know why it has so much.Is the receptor with 385 residues too big?
Any answer is appreciated!
   
                                                                        Yolanda Guo
 


      
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