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**Describe the bug**
This bug was my mistake and I'll fix it once we agree on the best approach.
The issue is an inconsistency between the definitions of the force constants in the [Boresch rest…
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## **Desired feature/enhancement**
Remove all the restraints-related CLIs from the codebase
## **Motivation**
The current implementations of restraint generation routines are a port o…
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`restraints.angles.as_JSON()` throws error. Steps to reproduce:
```
Apptainer> molprobity.molprobity probe=False coot=False prefix=1hao_mp pickle=True 1hao.cif
Apptainer> mmtbx.python
Python 3.…
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### Description
Elastic Restraints lost visible view model. View model of cuffs is bugged into head
### Steps to Reproduce
1. Hold out elastic restraints - View model not even there
2. Move mouse lef…
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## Foreword
- I disabled "Scrolling zooms".
- With this setup you get an almost native Mac user experience with pinch-to-zoom and two-finger scrolling.
- The only remaining downsides are:
- #170…
porg updated
5 months ago
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'MDAnalysis.topology.TPRParser.TPRParser'>. Error: Your tpx version is 134, which this parser does not support, yet [Fri Nov 8 12:24:14 2024]
got this while running equil_run_complex_get_boresch_re…
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Description
The Elastic Restraint has the similar model to that of the hobo bug bait model on. Shouldn't have it.
Steps to Reproduce
Just take elastic restraints from a dispenser and hold them…
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Hi Paul,
In 0.9.8.92, the API versions of the "add module" commands (e.g. `add_module_restraints()`) launch old versions of the corresponding menus, compared to what the corresponding Calculate...M…
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Hi!
I was just refreshing my memory of the BSS syntax for minimisation and equilibration, and noticed [here](https://github.com/OpenBioSim/biosimspace_tutorials/blob/17bd74546004790cf075b5cffef9b0…
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In the workflow builder, when assigning an ambiguous distance restraint file to e.g. the rigidbody step, it is automatically propagated to all other modules using restraints. I understand this can be …