[Dock-fans] An error

[Sudipto Mukherjee]

Dear Xu Dong and other AMS 536 students,

As you are in the Stony Brook AMS 536 class, please ask me directly in class, or email me if you have problems while running DOCK. 
I will be happy to troubleshoot any issues you are facing. 

 Regards
Sudipto Mukherjee
Graduate Student, Robert C. Rizzo Lab
Dept. of Applied Math & Statistics, Stony Brook University



________________________________
From: Xu Dong <hslinhc at gmail.com>
To: dock-fans at docking.org
Sent: Monday, March 9, 2009 3:53:56 PM
Subject: Re: [Dock-fans] An error

Hi All,
Sorry I just googled out a similar question about it, by using Sphgen_cpp, if it still doens't work, I would change the topic and ask again.
Sorry and thank you


2009/3/9 Xu Dong <hslinhc at gmail.com>

Hi All,
When I preparing AchE enzyme surface, I use,
     sphgen -i INSPH -o OUTSPH
 
and it says:

   fmt: read unexpected character
   apparent state: unit 2 named temp2.sph
   last format: (2I5,F8.4,I8,4F12.6)
   lately reading sequential formatted external IO
   Abort

and the output shows that:

 density type = X
 reading  nasurface.ms                                                                       type   R
 # of atoms =   4210   # of surf pts =  *****
 finding spheres for   nasurface.ms                                              
 dotlim =     0.000
 radmax =    4.000
 Minimum radius of acceptable spheres?
  1.39999998
 output to  naspheres.sph                                                        
 error reading temp2.sph
    0   75  3.9213  105158    0.077739   36.940884   54.919117   47.742725

I wonder what possible problem may lead to this?
Thank you all.

-- 
Dong Xu
Stony Brook AMS



-- 
Dong Xu
Stony Brook AMS



      
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