MolecularNodes

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DOC: Blender 4.0.1 default spheres for large systems

8

We discussed this a bit on the MDAnalysis discord, but this reproducer is actually different than the real system behavior, but likely problematic nonetheless. I'm providing an MDAnalysis-based Python module...

tylerjereddy

Multi-Model `b_factor` currently not available

3

While previously using `atomium` for parsing, `b_factor` on a per-model basis was available. With the switch to `Biotite`, this is currently not available and `b_factor` is now taken from the...

BradyAJohnston

Support for LAMMPS Files and Trajectories

15

**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...

Compizfox

Improve Sugar and Other Ligand Distinctions for Selections

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Referencing discussion in #20 about better methods fir distinguishing sugars and other modifications to the protein structure, as well as ligands. In example [`6WTH`](http://rcsb.org/structure/6WTH), the oligosaccharides are treated as separate...

BradyAJohnston

4.2

1

Implement changes for compatibility with Blender 4.2 Current build is approved and hosted on the extensions website - need to finish final changes before 4.2 release (https://extensions.blender.org/add-ons/molecularnodes/) - [x] Change...

BradyAJohnston

Per-Frame Calculations

1

Adds potential functions that are called each frame on the universe. The results of these are then stored on the object mesh for use in geometry nodes. The appended functions...

BradyAJohnston

BradyAJohnston

Entity detection in trajectories with protein-ligand complexes

1

> Blender 4.1 > Molecular Nodes 4.1.4 > Windows 11 > > MD simulation software: Schrodinger Maestro > Trajectory conversion form .cms to .dcd using VMD > > topology and...

rabiakhd

More options for MDAnalysis trajectory playback

8

Potential extra options to enable when streaming a trajectory from disk: - [x] Offset the start frame of the trajectory (currently locked to start frame 0) #608 - [ ]...

BradyAJohnston

Node tool or operator that takes the current selection of the mesh and creates a new attribute for use in node trees

BradyAJohnston