ADL: Problem about autodock

Van Dam, Hubertus hvandam at bnl.gov
Wed Apr 22 07:58:06 PDT 2020


Hi Apisara,

If autogrid4 does not produce a glg file at all then it is possible that the code does not run at all. If you simply run 

	autogrid4.exe

the program should print the usage information (see: http://autodock.scripps.edu/downloads/previous-releases/autodock-4-2.3-1/autodock-4-2-x-installation-on-windows for more details). I.e. you should get something like

$ autogrid4
usage: AutoGrid         -p parameter_filename
                        -l log_filename
                        -d (increment debug level)
                        -h (display this message)
                        --version (print version information, copyright, and license) 

If you don't get that then the executable is not working at all and you would have to try and figure out what is wrong with your installation. Maybe you'll get an error message. If you do, please provide that information. That will help pinpointing what the problem is.

Best wishes,

    Huub

-----------------------------------------------------------------------------------------------------
Hubertus van Dam, 631-344-6020, hvandam at bnl.gov
Brookhaven National Laboratory
 

On 4/22/20, 02:58, "autodock-bounces at scripps.edu on behalf of อภิสราภรณ์ ใบเจริญ" <autodock-bounces at scripps.edu on behalf of anan.unun26 at gmail.com> wrote:

    
    
    > Begin forwarded message:
    > 
    > From: อภิสราภรณ์ ใบเจริญ <anan.unun26 at gmail.com>
    > Subject: Fwd: Problem about autodock
    > Date: 21 April BE 2563 13:29:27 GMT+7
    > To: autodock at scripps.edu, autodock-owner at scripps.edu
    > 
    > 
    > 
    > ---------- Forwarded message ---------
    > จาก: อภิสราภรณ์ ใบเจริญ <anan.unun26 at gmail.com <mailto:anan.unun26 at gmail.com>>
    > Date: จ. 20 เม.ย. 2020 เวลา 20:11
    > Subject: Problem about autodock
    > To: <autodock at scripps.edu <mailto:autodock at scripps.edu>>
    > 
    > 
    > Dear sir
    >      My name is Apisara Baicharoen. I am a student. I have problem with autodock for docking. 
    > First, my molecule is deformed. This molecule is trimethoprim. That is shown below.  
    > Last, I followed https://urldefense.com/v3/__http://www.youtube.com/watch?v=kEEOLK_N0s__;!!P4SdNyxKAPE!QUFBbHhlxdvj2Oe7GuUDjmBZN1MsxP0nQavKLCeGRs-Dw2kXvnI0AhmHRuZR6F4$  <https://urldefense.com/v3/__http://www.youtube.com/watch?v=kEEOLK_N0s__;!!P4SdNyxKAPE!QUFBbHhlxdvj2Oe7GuUDjmBZN1MsxP0nQavKLCeGRs-Dw2kXvnI0AhmHRuZR6F4$ > for docking . However, i could not save file.glg and file.dlg in order to continue next step for docking. In addition, I tried to use command in pc with code autogrid4.exe -p file.gpf -l file.glg but it is not successful. 
    > 
    >       Please help me. This is my project for master degree.
    > 
    > Your sincerely 
    > 
    > Sent from my iPhone
    
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