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Currently, the ASE is used for loading coordinate, box size and element information. I wonder if it is possible to load the data through MDAnalysis.Universe?
The coordinate, cell, atom type can be ac…
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I have recently downloaded pycontact and keep getting this error. I have tried uninstalling all components (cython, MDAnalysis, PyQt5, and pycontact) and redownloading it multiple times, using all pr…
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https://userguide.mdanalysis.org/stable/formats/reference/tpr.html#supported-versions
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@yuxuanzhuang started planning the Molecular Nodes/MDAnalysis Blender hackathon session in [discord: #project-proposals: MDA/MN Collaboration](https://discord.com/channels/807348386012987462/11340272…
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As detailed at https://github.com/MDAnalysis/mdanalysis/pull/4744#discussion_r1807582150, `no_deprecated_call` (an old MDA testing utility) now requires an explicit warning class specification to work…
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Hello,
I'm having a problem visualizing a pdb:
As you can see the file is visible thr…
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Hello,
I'm running rotamerConvolveMD 1.3.0 with Window.
I got the following error when trying to run convolve-mtss-rotamers.py. The script run fine if the --useNoelectron option is added though.
…
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**Describe the bug**
When trying to load a LAMMPS topology (data file) and trajectory, MDAnalysis fails with the errors `This Universe does not contain element information` and `This Universe does no…
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MDAnalysis has been running ASV benchmarks for the last 6 years and published them at https://www.mdanalysis.org/benchmarks/ . Data are held in https://github.com/MDAnalysis/benchmarks . These benchma…
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## Additional Information
- This issue is originally found in [Issue 3925](https://github.com/MDAnalysis/mdanalysis/issues/3925#issuecomment-1868292405). Please have a look in that conversation.
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