Friday, 29 April 2011

AUDocker 1.0 - Easy tool for virtual screening with AutoDock Vina

AUDocker is a simple stand alone software tool for docking with Vina, developed with a view to simplify the procedures and to make the interface more user friendly.


Download the software from here
https://sourceforge.net/projects/audocker/files/?
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10 comments:

  1. kittu1 February 2012 at 23:23

    Hi thanks tool
    Could you tell me the installation requirements

    I had installed the tool with MGL tool vina and python and even .net4
    but while running the programm it is showing Error
    dialog box

    ReplyDelete
  2. kittu1 February 2012 at 23:24

    thanks for the tool

    ReplyDelete
  3. Anonymous24 February 2012 at 15:31

    I had the same problem, I was trying to run it on a 64-bit windows 7 and it would just say "error" when I hit Run. I figured out the issue though, it was that Vina had installed itself in the "C:\Program Files(x86)" folder instead of just "C:\Program Files". I just copied the entire Scripps Research Institute folder into the "C:\Program Files" folder and AUDocker worked perfectly.

    ReplyDelete
  4. Anonymous22 June 2012 at 13:46

    In my case, though the Vina was alrerady installed in C:\Program Files, still it gives error !
    First, when I click on audockerle v1.msi, then just before getting opened it gives error, then when I start the docking then as soon as it comes to 100% completion, it gives error " audockerle stopped working and needs to close".
    I tried using mine as well as tutorial protein ligands, but none worked ??? Same happens with AUDocker 1.1.2.rar (216.4 kB), which gives an instant error " file not found ", and later says " complete" but never return any ligand poses ??? Plz help ??

    ReplyDelete
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    ReplyDelete
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    ReplyDelete
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    ReplyDelete
  8. Cristin23 July 2018 at 07:47

    In silico study in medicine takes advantage of computer simulations to predict the protein-ligand binding site, reducing real laboratory experiments and accelerating the drug discovery process in a more efficient and economical way. Virtual Screening

    ReplyDelete
  9. umesh yadava22 April 2020 at 20:38

    I have successfully installed the AUDocker LE. when I use convert the ligands conversion is appearing on the portal but no file is created in the folder. Receptor upload is also OK as I have already created pdbqt file. When I used the run option, the AUdocker LE window appears with "audockerle has stopped working" and check online for a solution and close the program or close the program options appears.

    ReplyDelete
  10. umesh yadava22 April 2020 at 20:39

    Please, let me know the solution.

    ReplyDelete

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