Multiple ligand docking | dock 400 ligands using Autodock Vina

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  • Опубліковано 16 гру 2024

КОМЕНТАРІ • 13

  • @amalzulkipli2248
    @amalzulkipli2248 Рік тому +1

    I learned a lot by following your channel, keep on sharing!

    • @educont22
      @educont22  Рік тому

      Thank you for your encouraging words.

  • @hrithikjain2789
    @hrithikjain2789 Рік тому +1

    Awesome Video.... Thanks for help

  • @themusicdoctor9796
    @themusicdoctor9796 Рік тому

    Thanks for informative tutorial.

  • @FiifiAB
    @FiifiAB Рік тому

    Thanks @Bioinforphile for this excellent video. However, when I tried the step, I get to a point with an error saying "Error: could not open "conf_vs.txt" for reading. Can you help?

    • @FiifiAB
      @FiifiAB Рік тому +1

      I've solved it. Working now. Thanks

    • @educont22
      @educont22  8 місяців тому

      There may be an error in the file path. Please check.

  • @JungYoontae-dx5sm
    @JungYoontae-dx5sm 8 місяців тому

    The conf_vs.txt does not contain the Spacing (anstrom). How can I add it and what is it basically set to? Thanks.

    • @educont22
      @educont22  8 місяців тому

      In AutoDock Vina, the "Spacing" parameter in the configuration file (conf.txt) specifies the spacing (grid spacing) between grid points in the grid box used for docking. This parameter determines the resolution of the grid, which affects the accuracy and speed of the docking calculations. The default value used by AutoDock Vina is 1 Ångstrom. f the conf_vs.txt file generated by AutoDock Vina does not contain the Spacing parameter, you can add it manually to the configuration file (conf.txt). Typically, the Spacing parameter is set to a value between 0.375 Ångstrom and 1 Ångstrom. spacing = 1.0

  • @balogunchristianah6734
    @balogunchristianah6734 7 місяців тому

    I keep getting the error ,command line parse error: unrecognized option. ‘-log’

  • @70pradeepyadav5
    @70pradeepyadav5 7 місяців тому

    Output will be 10_out.pdbqt
    Detected 4 CPUs
    Reading input ...
    Error: could not open "receptor.pdbqt" for reading. i am getting this error kindly help me. what to do

  • @70pradeepyadav5
    @70pradeepyadav5 7 місяців тому

    Getting error space volume > 2700 Angstrom 3
    Could not open receptor. Pdbqt

    • @educont22
      @educont22  7 місяців тому

      This part of the error message indicates that the software is encountering an issue related to the size of the search space volume specified for docking. AutoDock Vina has a limit on the size of the search space volume, and it seems that the specified volume exceeds this limit (which is set to 2700 Angstrom^3). You may need to adjust the size of your search space to be within this limit.