ADL: Simple survey - A or B

Van Dam, Hubertus hvandam at bnl.gov
Thu Apr 23 07:55:08 PDT 2020


Hi Rick,

B. in response to an over simplified question.

This may not be entirely helpful as you are probably trying to make a simple decision, but I'll provide with my view anyway and you can decide whether you want to use that information.

1. Reverting to back to Mojave violates my organization's cybersecurity policy and I might get kicked off the network.

2. The 64-bit Mac issue is not going away and we'll need a 64-bit AutoDockTools at some point no matter what (you support that for Linux so I don't think that is particularly hard for a Mac)

3. The more troubling issue on the Mac that worries me is that they are moving away from OpenGL (they are adopting Metal). As a result you cannot even install AutoDockTools on a remote Linux machine and throw a Window back to your screen. The only thing that I have been able to get to work somewhat is installing 64-bit Linux AutoDockTools in a Docker container, and using the Mac Screenshare feature to access the graphics. This approach is, however, very unstable with the whole container crashing frequently. Fixing this problem seems like a major issue to me. Of course, you're not the only one hit by this problem. VMD is in a similar pickle although someone has been able to compile a version of VMD for Catalina (see the most popular answer to this question: https://www.researchgate.net/post/VMD_not_working_on_macOS_1015_Catalina-Any_suggestions which is what I am using nowadays). This port was built by Francois-Xavier Coudert and he must have figured out how to get around the OpenGL issue, so it might be worth asking him.

4. In the meantime I use AutoDockTools on a remote Linux machine without any of the graphical functionality. Whenever, I need graphics I bring the data back to my Mac and visualize things as best as I can with VMD. As I work with a team of people where a lot of the data preparation is done by others this kind of works for me. I realize that most other users won't be in this situation and that the lack of visualization capabilities will hit them a lot harder.

I hope this information helps.

Best wishes,

    Huub

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

On 4/23/20, 05:34, "autodock-bounces at scripps.edu on behalf of Rick Sheridan" <autodock-bounces at scripps.edu on behalf of ricksher at gmail.com> wrote:

    Hi Autodock users -
    
    A) Would you like a private link to downgrade back to Mojave (32-bit)
    B) You have no need for such a link.
    
    Kindly reply A or. B.
    
    Regards,
    Rick
    
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