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I expect this to require changes to the theme -- opened #32.
Repos:
- [x] core: https://github.com/lilyminium/mdanalysis/tree/switch-docs-theme
- [x] user guide: https://github.com/MDAnalysis/UserGui…
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See: https://github.com/MDAnalysis/mdanalysis/issues/1933
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We want to do a new release of MDAnalysis.
The target date is the 20th of October 2024.
TODOs:
- [ ] Complete remaining issues on the v2.8.0 milestone
- [x] Declare a code freeze
- [ ] Comple…
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**Expected behavior**
To crash if not a water selection is given.
**Actual behavior**
It calculates with any input, not only with water molecules.
**Code to reproduce the behavior**
I'm giv…
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When https://github.com/MDAnalysis/mdanalysis/pull/3753 is merged we'll need to update the guessing tutorials here.
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I am trying to download this on my M2 macbook air. I am getting an error "Could not build wheels for MDAnalysis, mdtraj, which is required to install pyproject.toml-based projects" Any advice?
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From nightly wheels cron CI:
2023-11-03T03:16:21.1300895Z /home/runner/work/mdanalysis/mdanalysis/package/MDAnalysis/analysis/nuclinfo.py:302: DeprecationWarning: Conversion of an array with ndim…
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### Expected behaviour
PMDA uses the serializable Universe in MDAnalysis ≥ 2.0.0 (PR https://github.com/MDAnalysis/mdanalysis/pull/2723)
### Actual behaviour
Current code uses MDA 1.0.0 workaroun…
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Hello
I have installed Pycontact with the mentioned installation commands but I got the following error and I have Python 3 installed in my laptop also I can not find the zip file (pycontact-develop…
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If you have encountered any problems while working with MDAnalysis, and you do not see the problem and solution on the MDAnalysis FAQ (https://userguide.mdanalysis.org/stable/faq.html), please help us…