How to Install Molecular Docking Software for Mac | Brown Lab

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  • Опубликовано: 15 дек 2024

Комментарии • 68

  • @Brown_Lab
    @Brown_Lab  4 года назад +5

    There are a lot of comments regarding MGL Tools / AutoDock Tools not working on Mac. As of Mac Catalina, 32-bit apps such as Autodock Tools and MGL Tools are no longer supported. Creating a virtual machine with a compatible operating system is an alternative which will allow you to install ADT and MGL Tools. This can be done using a tools such as virtual box.

    • @SoukRassek.podcast
      @SoukRassek.podcast 3 года назад +4

      Hi, my mac has an M1 chip and cannot run virtualbox, is there still a way i could run MGL tools without it ?

    • @zainulabeden3277
      @zainulabeden3277 3 года назад +2

      @@SoukRassek.podcast @brown lab pleeeeease reply to this I have the same issue
      Update: I bought a subscription to Parallels desktop and MGLtools works just fine on it

    • @aasthagarg5396
      @aasthagarg5396 Год назад

      Can you make a tutorial for this too? I request, it because I have tried it myself and haven't succeeded

  • @neerajkr.mishra3475
    @neerajkr.mishra3475 5 лет назад +12

    This video is one of the most informative and useful video on youtube. Thank you very much for posting it. Id possible please upload some videos about docking in autodock and Schrodinger.

  • @parneetkaur7068
    @parneetkaur7068 Год назад +1

    When I open the Autodock tool, it shows that the software needs to be updated. Could you help with this error message?

  • @dforscher
    @dforscher 5 лет назад +1

    very helpful for users with limited knowledge in linux. I am literally installing the programs along with your video. thanks a bunch

  • @GriffFredMc
    @GriffFredMc 5 лет назад +2

    Thanks a lot for the video, brother! Can you post a quick one on how to run a docking? I have all the programs installed, but the only video tutorials are for Windows. You're the only Mac I've found... Thanks!

  • @bipasanashakya8524
    @bipasanashakya8524 4 года назад +8

    I downloaded and installed MGLTools but then when I open from the application in finder, I see that they are crossed out and error message pops up saying "“AutoDockTools-1.5.6” needs to be updated". How to get over this? Please help!!

    • @suisuilover
      @suisuilover 4 года назад

      me too, have u solve this problem?

    • @bipasanashakya8524
      @bipasanashakya8524 4 года назад +1

      @@suisuilover Yeah, it was a tough one. I was really agitated with the issue, and I basically started opening all of the folders, subfolders of the package, and finally, on a terminal file, I was able to open up the program. However, the application folder for this still showed same response. And now I have that terminal file in my shortcut to directly use the program.

    • @suisuilover
      @suisuilover 4 года назад

      Bipasana Shakya I read some reference about this, the key of this problem may be that the mgltools is a 32bit app, however new macos just run 64bit app

    • @SaeedKabrah
      @SaeedKabrah 4 года назад

      this is because we i updated our mac to the new version

    • @SaeedKabrah
      @SaeedKabrah 4 года назад

      did it work with you ?

  • @tamizhiniloganathan9708
    @tamizhiniloganathan9708 2 года назад +1

    Could anybody tell me how to install Autodock tools in Mac? It says some upgrade OS TO Catalina. Could anyone tell me about it?

  • @monicacuellar9433
    @monicacuellar9433 4 года назад +3

    Hi! I am having problems with Mac OS Catalina, when I attempt to open the MGT tools it says the app is not compatible. Any idea on how to fix it? I successfully installed Xquartz but the message about "Installer" wanting access to control "system events" never popped up... I don't know it this has anything to do with it. Please help!

  • @obasajuwinner215
    @obasajuwinner215 3 года назад

    Thank you Brown Lab, made installation easy

  • @qazalehtakalloo7705
    @qazalehtakalloo7705 Год назад

    I installed all correctly, however, the MGLtool does not work on my MAC as it says it needs update. Can someone help me? I cannot create virtual machine.

  • @romanbibi8744
    @romanbibi8744 2 года назад

    My download option is not show

  • @KhadijaIMANI-sk6vx
    @KhadijaIMANI-sk6vx Год назад

    please how can i get autodock tools to work in MacOS 11 Big Sur ?

  • @arjuno6992
    @arjuno6992 9 месяцев назад

    can u please post a video for pyrx and biovia discovery studio

  • @ivyliang705
    @ivyliang705 4 года назад

    Thank you so much! This video was really informative and I was able to install Autodock easily.

  • @MultiCougar66
    @MultiCougar66 3 года назад

    Incredibly helpful. Thank you!

  • @mohamedalikhalaf4718
    @mohamedalikhalaf4718 3 года назад +1

    Hi there !
    Thanks for this nice and informative tutorial .. I have a problem with MGL tools, I installed it several times and I couldn't find it in apps .. What should I do ?

    • @juanferrando9641
      @juanferrando9641 2 года назад

      Look in your applications in your files, not your launchpad. I couldn't find it in my launchpad either but found it there.

  • @JoyceGem
    @JoyceGem 5 лет назад +1

    This was really helpful. Thanks!

  • @stella4185
    @stella4185 3 года назад

    THIS IS THE BEST GUIDE!!! MUCH GRATITUDE TO YOU!! MORE POWER & BLESSINGS!!

  • @SaeedKabrah
    @SaeedKabrah 4 года назад

    how can I update the Autodocking as it is not open after I updated my MAC

    • @suisuilover
      @suisuilover 4 года назад

      mgltools can’t run well in macOS catalina, you need to degradation your MacOS to 10.14, or you can use a virtualbox to install macOS Mojave

  • @nonlawat
    @nonlawat 3 года назад

    Thanks for your super helpful vdo. I have a problem about PIP. It says " couldn't find index page for "pip". (maybe misspelled?). Any suggestion?

  • @ปฤณภูวรกิจ

    Could you teach for docking by using open-babel on mac please >

  • @kessaria92
    @kessaria92 3 года назад

    i just want Baudock vina to do ligand docking screening but i guess i need MGL tools too. Is there a way to install MGL tools for macOS Catalina (64 bit)? I've installed vina but can't open anything with it. i need the MGL tools right? or PyRx ?

  • @lajpreetkaur3691
    @lajpreetkaur3691 4 года назад

    thank you for such a wonderful video and please upload one protein-ligand docking tuturial on Macbook

  • @virgeltorres1211
    @virgeltorres1211 3 года назад

    Please help huhuhu!!! I'm in the part where pip should be installed but I don't think I downloaded it correctly
    I followed all the instructions but this is what I got:
    Traceback (most recent call last):
    File "/usr/local/bin/pip", line 9, in
    load_entry_point('pip==21.0.1', 'console_scripts', 'pip')()
    File "/System/Library/Frameworks/Python.framework/Versions/2.7/Extras/lib/python/pkg_resources/__init__.py", line 565, in load_entry_point
    return get_distribution(dist).load_entry_point(group, name)
    File "/System/Library/Frameworks/Python.framework/Versions/2.7/Extras/lib/python/pkg_resources/__init__.py", line 2697, in load_entry_point
    return ep.load()
    File "/System/Library/Frameworks/Python.framework/Versions/2.7/Extras/lib/python/pkg_resources/__init__.py", line 2370, in load
    return self.resolve()
    File "/System/Library/Frameworks/Python.framework/Versions/2.7/Extras/lib/python/pkg_resources/__init__.py", line 2376, in resolve
    module = __import__(self.module_name, fromlist=['__name__'], level=0)
    File "/Library/Python/2.7/site-packages/pip-21.0.1-py2.7.egg/pip/_internal/cli/main.py", line 60
    sys.stderr.write(f"ERROR: {exc}")
    ^
    SyntaxError: invalid syntax
    Virgels-MacBook-Air:~ vctorres1$ sudo easy_install pip
    Searching for pip
    Best match: pip 21.0.1
    Processing pip-21.0.1-py2.7.egg
    pip 21.0.1 is already the active version in easy-install.pth
    Installing pip script to /usr/local/bin
    Installing pip2.7 script to /usr/local/bin
    Installing pip2 script to /usr/local/bin
    Using /Library/Python/2.7/site-packages/pip-21.0.1-py2.7.egg
    Processing dependencies for pip
    Finished processing dependencies for pip
    Virgels-MacBook-Air:~ vctorres1$ pip
    Traceback (most recent call last):
    File "/usr/local/bin/pip", line 9, in
    load_entry_point('pip==21.0.1', 'console_scripts', 'pip')()
    File "/System/Library/Frameworks/Python.framework/Versions/2.7/Extras/lib/python/pkg_resources/__init__.py", line 565, in load_entry_point
    return get_distribution(dist).load_entry_point(group, name)
    File "/System/Library/Frameworks/Python.framework/Versions/2.7/Extras/lib/python/pkg_resources/__init__.py", line 2697, in load_entry_point
    return ep.load()
    File "/System/Library/Frameworks/Python.framework/Versions/2.7/Extras/lib/python/pkg_resources/__init__.py", line 2370, in load
    return self.resolve()
    File "/System/Library/Frameworks/Python.framework/Versions/2.7/Extras/lib/python/pkg_resources/__init__.py", line 2376, in resolve
    module = __import__(self.module_name, fromlist=['__name__'], level=0)
    File "/Library/Python/2.7/site-packages/pip-21.0.1-py2.7.egg/pip/_internal/cli/main.py", line 60
    sys.stderr.write(f"ERROR: {exc}")
    ^
    SyntaxError: invalid syntax
    Virgels-MacBook-Air:~ vctorres1$

  • @deobizen2175
    @deobizen2175 4 года назад +2

    I've downloaded the Autodock, when I tried to open it it says "AutoDockTools-1.5.6 need to be updated" may I know is there any solution to this problem? I really need help with this~

    • @aulanempouli6149
      @aulanempouli6149 4 года назад

      Same problem here!!

    • @vernonvest5104
      @vernonvest5104 3 года назад

      @@aulanempouli6149 did u solve this problem?

    • @aulanempouli6149
      @aulanempouli6149 3 года назад +1

      @@vernonvest5104 I think I concluded that ADT wasn’t compatible with my mac. I used ADT through virtual box instead. It worked for the docking that I needed to complete but then it crashed later on due to storage issues. I would recommend it as a short term solution!

    • @vernonvest5104
      @vernonvest5104 3 года назад

      @@aulanempouli6149 oh i see, im using the M1 which and unfortunately virtual box cant run 😵😵 do you know any alternative for ADT? Im new to bioinformatics

    • @aulanempouli6149
      @aulanempouli6149 3 года назад

      @@vernonvest5104 Unfortunately i do not, so sorry

  • @rosaliegarbett5315
    @rosaliegarbett5315 3 года назад

    I'm trying to run autodock vina using chimera on my mac and it keeps failing to run. I'm using a 64bit installation for Catalina. Any advice on what to do?

    • @tanvikhokhawat1341
      @tanvikhokhawat1341 3 года назад

      same for me too! were you able to solve this problem?

    • @rosaliegarbett5315
      @rosaliegarbett5315 3 года назад

      @@tanvikhokhawat1341 yes, I don’t remember exactly what I did but I had to reconfigure the shell on my laptop. You can see at about 7:14 that he’s got bash. I had something else so had to look up how to change that. Hope that helps!

  • @janvhimachhar5742
    @janvhimachhar5742 4 года назад

    Hey. Can you help me with the commands to input to run the autodock vina in the terminal

    • @Brown_Lab
      @Brown_Lab  4 года назад

      When in your vina folder that contains the vina program and all the files you need, use ./vina --config ("your config text file")

  • @tanvikhokhawat1341
    @tanvikhokhawat1341 3 года назад

    Hello! Can you help me with Biovia discovery studio visualiser download in Mac? I can see its download links for windows and linux but can't seem to find a link for MacBook!

  • @muffinandmojichannel7676
    @muffinandmojichannel7676 3 года назад

    Does this program work for M1 MacBook?

    • @vernonvest5104
      @vernonvest5104 3 года назад

      Any updates on the m1? Can it be downloaded?

  • @rafaeldarosa6353
    @rafaeldarosa6353 4 года назад

    Hello, thank you for the video! I see that when you open ADT, you got an error related to "/usr/X11/lib/libGL.1.dylib" and grid parameters. How did you solve this? I'm getting the same error and, therefore, cannot run any docking. Thank you.

    • @Brown_Lab
      @Brown_Lab  4 года назад

      Not sure for that particular error, may be worth while to check the FAQ and help page for ADT autodock.scripps.edu/faqs-help

  • @c.benjaminariasalmeida.blg9683
    @c.benjaminariasalmeida.blg9683 5 лет назад

    Hello. Your tutorial videos are some! just safe me from a lot of problems. moreover you have any idea on how to install AutodockVina in macOS Catalina? Thanks a lot!

    • @sabrinanao6477
      @sabrinanao6477 3 года назад +1

      Hi! you fix this problem? I do not know how to install VirtualBox in macOS Catalina 😭

  • @tetsundo9212
    @tetsundo9212 5 лет назад

    I can't go to mgltools.scripts.edu. That shows me "Service Temporarily Unavailable". Is there another way to install MGLTools?

    • @tetsundo9212
      @tetsundo9212 5 лет назад +1

      ​@@Brown_Lab Thanks!! I overlooked it. Sorry for being late to reply to you. This video really helps me.

  • @ridazainab317
    @ridazainab317 5 лет назад +1

    Hello. This is an amazing informative video. Been searching for it since a long time. Thanks A LOT. I still have some confusions about directories though. Can you please guide me regarding it because I saved the folders just like you tell in the end of video but don't know how to dock from Mac now? I'm stuck regarding using terminals. Can you please talk on skype or email? Please reply. Really need your help. It would be extremely helpful. Please. Thank you.

    • @Brown_Lab
      @Brown_Lab  4 года назад

      This article may help you on navigating directories! www.macworld.com/article/2042378/master-the-command-line-navigating-files-and-folders.html

  • @bsurajraju
    @bsurajraju 5 лет назад +1

    Thanks a lot buddy :)

  • @chelsearintelmann240
    @chelsearintelmann240 4 года назад

    Thank you for the tutorial. How do you download the latest version of MGM tools 1.5.7 (ccsb.scripps.edu/mgltools/downloads/)?

  • @omeedtarzi8738
    @omeedtarzi8738 5 лет назад

    indeed the best video