AutoDock4.2.6 Part-1 Installation and Preparing your system

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  • เผยแพร่เมื่อ 25 ก.ย. 2024
  • #AutoDock
    #HowtoinstallAutoDock
    #HowtoInstallMGLTools
    #HowtoInstallDiscoverystudio
    KNP's Pharmaceutical Chemistry
    Welcome All
    Installation Links
    1. Auto Dock: autodock.scrip...
    2. MGL Tools: ccsb.scripps.e...
    3. Discovery Studio: discover.3ds.c...
    4. Open Babel: openbabel.org/...
    After Installation
    1. copy two files from the below path
    C:\Program Files (x86)\The Scripps Research Institute\Autodock\4.2.6
    from the distination folder copy autodock4 & autogrid4
    past those two files in your working directory/folder
    2. copy two files from the below path
    C:\Program Files (x86)\MGLTools-1.5.6\Lib\site-packages\AutoDockTools
    from the distination folder copy AD4.1_bound.dat & AD4_parameters.dat
    past those two files in your working directory/folder
    Links for Complete AutoDock 4.2.6 Tutorials
    Part-1: Installation and Preparing your System • AutoDock4.2.6 Part-1 I...
    Part-2: Protein Cleaning • AutoDock4.2.6 Part-2 P...
    Part-3: Protein Preparation • AutoDock4.2.6 Part-3 P...
    Part-4: Ligand Preparation • AutoDock4.2.6 Part-4 L...
    Part-5: Generation of Grid Parameter File (GPF) • AutoDock4.2.6 Part-5 G...
    Part-6: Generation of Docking Parameter File (DPF) • AutoDock4.2.6 Part-6 G...
    Part-7: Running AutoGrid • AutoDock4.2.6 Part-7 R...
    Part-8: Running AutoDock Simulations • AutoDock4.2.6 Part-8 R...
    Part-9: Analysing and Interpreting Results • AutoDock4.2.6 Part-9 A...

ความคิดเห็น • 29

  • @edwardranjo4611
    @edwardranjo4611 ปีที่แล้ว +6

    I followed your tutorial, but I still can't run autodock. When I click on the application, it briefly shows a blank window that disappears immediately after. Nothing else happens. Help me pls

    • @muslehasvlogs2695
      @muslehasvlogs2695 7 หลายเดือนก่อน

      I'm facing the same problem, please help me to solve. Thank you.

    • @KNPPharmaceuticalChemistry
      @KNPPharmaceuticalChemistry  7 หลายเดือนก่อน

      Please share the screenshot, so that I can help.

  • @israelekoro8617
    @israelekoro8617 8 หลายเดือนก่อน +1

    Please on the video i saw that there was an Autodock demo of 1kb in the working folder before you copied the two files in into it. I downloaded and got the two files but there is no Autodock demo and there's no working folder.
    Please assist me

    • @burhanertekin2945
      @burhanertekin2945 หลายเดือนก่อน

      Could you solve this problem? I have this problem too in my computer.
      Please help me

  • @drjagadishdasari2294
    @drjagadishdasari2294 3 หลายเดือนก่อน

    how to fix swig/python detected a memory leak of type 'BHtree *', no destructor found...................molecule is not visible while load molecue kindly help me out..........thank you

  • @todaysneed9914
    @todaysneed9914 2 ปีที่แล้ว +1

    Watched all the part.. but unable to do docking metal complex taking as ligand..is there any different methods/apps for metal complex docking with protein or DNA. Kindly help

    • @KNPPharmaceuticalChemistry
      @KNPPharmaceuticalChemistry  2 ปีที่แล้ว +1

      Thank you for watching our videos.
      For docking metal complexes using AutoDock we need to incorporate the metal parameters in to AutoDock parameter files i.e., AD4.1_bound.dat & AD4_parameters.dat.
      Follow our channel for more updates.

  • @barashabharadwaaj7244
    @barashabharadwaaj7244 3 ปีที่แล้ว +1

    Sir how do I paste the autodock4 and autogrid4 to working folder if the working folder is showing like a short cut folder only, and if I open it, the demo is shown, there is no working folder saved in my laptop while installing, only the demo folder is shown like a short cut file, do I need to create that folder myself

  • @subratamaity8028
    @subratamaity8028 7 หลายเดือนก่อน

    Unable to download discovery studio, how do you download it?

  • @anjitaprakash9484
    @anjitaprakash9484 2 ปีที่แล้ว +1

    When I added Se , I can't run autodock, it is shown in the dlg file that "I can't find or open 7d6h.Se.map"
    Plzz help me sir

    • @KNPPharmaceuticalChemistry
      @KNPPharmaceuticalChemistry  ปีที่แล้ว

      Thank you for watching our channel.
      Autodock can't read Selenium and we need to add the parameters of selenium manually.
      Follow for more updates!

  • @harithamanoj7292
    @harithamanoj7292 11 หลายเดือนก่อน +1

    the link to mgl tools does not work could you please update it

    • @KNPPharmaceuticalChemistry
      @KNPPharmaceuticalChemistry  9 หลายเดือนก่อน

      this is the updated link:
      ccsb.scripps.edu/mgltools/downloads/
      Thank you for watching our channel.
      Follow for more updates.

  • @dashrathkondhare1136
    @dashrathkondhare1136 3 ปีที่แล้ว +1

    Thank you for sharing wonderful Video

  • @saadfettach5799
    @saadfettach5799 2 ปีที่แล้ว +1

    The link to AutoDock Vina doesn't work, can you updated please

    • @KNPPharmaceuticalChemistry
      @KNPPharmaceuticalChemistry  2 ปีที่แล้ว

      Dear Saad Fettach,
      Thanks for bringing this aspect to us.
      The link was updated.
      Follow for more updates.

  • @parshantmish9825
    @parshantmish9825 ปีที่แล้ว +1

    hii sir but in my case this folder is empty??? how can i correct

    • @KNPPharmaceuticalChemistry
      @KNPPharmaceuticalChemistry  ปีที่แล้ว

      Thank you for watching our channel.
      Follow the steps exactly.
      Follow for more updates.

  • @praajnatherockstar
    @praajnatherockstar 3 ปีที่แล้ว +1

    Informative video. but can you tell me when we copy the autogrid4 and autodock4 how do we make it to .exe. I'm confused since 2 days. please do help

    • @KNPPharmaceuticalChemistry
      @KNPPharmaceuticalChemistry  3 ปีที่แล้ว +1

      By default the autogrid4 and autodock4 are .exe files. No need to do anything. Simply copy and use them.
      Follow for more updates.

    • @praajnatherockstar
      @praajnatherockstar 3 ปีที่แล้ว

      @@KNPPharmaceuticalChemistry thankyou so much savior

    • @KNPPharmaceuticalChemistry
      @KNPPharmaceuticalChemistry  3 ปีที่แล้ว

      @@praajnatherockstar Thank you and Subscribe for more updates.

  • @tanmayeejoshi9332
    @tanmayeejoshi9332 3 ปีที่แล้ว +1

    Very useful videos. Thank you very much

  • @GoliSaiPhani
    @GoliSaiPhani 3 ปีที่แล้ว +1

    Thanks for making this Sir