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Register spyrmsdkit #146

Merged
merged 3 commits into from
Jul 7, 2024
Merged

Register spyrmsdkit #146

merged 3 commits into from
Jul 7, 2024

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RMeli
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@RMeli RMeli commented May 31, 2024

MDAKit to run spyrmsd (symmetry-corrected RMSD) on MD trajectories.

@IAlibay IAlibay requested a review from fiona-naughton June 17, 2024 19:18

license: GPL-2.0-or-later

project_home: https://github.com/RMeli/MYPROJECT/
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o actually this is using the template?

- symmetry-corrected RMSD
- drug discovery

license: GPL-2.0-or-later
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just FYI that probably should be 3+ since MDA is currently packaged as 3+

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This is the actual licence used by the MDAKit. This doesn't appear to have changed in the cookiecutter-mdakit. Should this be changed everywhere (including the cookie cutter)? I can do that if needed.

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Erm, yeah this is mostly a temporary thing, in the end the package will just be 3+ for now and then will turn 2+ once we drop the Apache licenses. It's not a hill I care to spend too much time on.

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Ok, thanks for the clarification. I was asking just to get a better understanding of the MDAKit side of things.

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It's a perfectly good question tbh and we should probably fix it, but also time is probably best spent elsewhere.

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sorry I'm on my phone and I keep clicking the wrong things - block on the template path not approve

@IAlibay IAlibay self-assigned this Jul 1, 2024
@IAlibay IAlibay merged commit ec0629f into MDAnalysis:main Jul 7, 2024
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@RMeli RMeli deleted the spyrmsdkit branch July 8, 2024 07:22
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2 participants