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As described in the issues #454 and #459, the molecule class can be optimized and unified with the AtomGroupInBlender class.
Goals:
- [x] clean up s. #454
- [x] write `molecule` class, with ato…
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### Expected behaviour
All tests pass and testsuite completes.
### Actual behaviour
Test execution dies when running `core/test_topologyattrs.py:TestResids.test_set_atoms`, but only when testing …
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**Is your feature request related to a problem? Please describe.**
The User Guide is versioned like the core MDAnalysis library and User Guide releases are synchronized with core lib releases. Howeve…
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Hello,
Thanks for developing this program for the analysis of MD TRAJ data.
While plotting the data using the gcc_mi matrix, I was getting the following error. Could you please suggest the fix…
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## Is your feature request related to a problem? ##
To use [h5py's parallel features](), you need to pass `driver` and `comm` arguments when you open a file, like this:
```python
f = h5py.File('pa…
edisj updated
4 years ago
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In the very early stages, but there is currently a new molecular dynamics database being built, modeled on the PDB. This will allow downloading and streaming of MD trajectories via an API, with a simp…
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i had tried to install Windows 3.x , and selected Monochrome Display, but it didnt work, when setup tried to load Windows 3.x GUI, screen was really weird filled with random colors and characters
doe…
ghost updated
3 years ago
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```
It would be cool if the speed and altitude graphs were accessible vie one-click
from statistics screen (i.e. on Speed or Altitude area respectively), not only
via settings screen.
Or is there so…
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Mappings in collections is depricated since 3.3 and removed in 3.10.
in 3.10 its failing like this:
```
Traceback (most recent call last):
File "/software/miniconda/envs/pytroll/lib/python3.10…
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This is simply a wish for the distant future. Is there any hope that DOSBox-X might someday have an option to use a scalable TrueType font (like Consolas or one of the free Google monospace fonts) for…