VTX

VTX: High performance molecular visualization software @ERC_research ViDOCK VTX-HPC @LeCnam @M2d2Team @cedric_lab @InstitutXLIM @sorbonne_univ_ @lct_umr7616

[Matthieu Montes @MatthieuMontes]

New publication out! https://t.co/nof0UfMUBO
@VTX_mol is open source and freely accessible for non commercial use
Builds available at https://t.co/fvPEenBqzw

[VTX @VTX_mol]

New release VTX 0.4.3,

Debug:
Fix import trajectory pop-up.
Fix trajectory loading with inconsistant atom count.
Fix frame selection dropdown.

UI:
Improve SES warning pop-up.

Other:
Update chemfiles lib.

@LeCnam @M2d2Team @sguionni @MaximeMARIA_ @MatthieuMontes @jppiquem

[VTX @VTX_mol]

Release of vtx 0.4.2
Debug
-Fix possible crash with large trajectories
-Fix Memory leak with trajectory in SES representation.
-Debug camera movement.

UI
-warning pop-up with large SES
-feedback on loading
-Display path to file when snapshot.
-Rename color modes

[VTX @VTX_mol]

Freefly navigation inside Mycoplasma whole cell model from @CG_Martini captured with @NVIDIAGeForce experience on a laptop with RTX2080m
@MatthieuMontes @MaximeMARIA_ @sguionni @M2d2Team @InstitutXLIM @LeCnam @gemellyn @jppiquem @ERC_Research

[VTX @VTX_mol]

## [0.4.1] (beta) - 2022-05-30
- Fix issues with snapshot on scaled screens.
- Fix transparent outline on snapshots.
...
### Optimizations
- Optimize selection.
## UI
- Improve resize area of docked panels.
### Other
- Update links in information to the new VTX git repository.

[VTX @VTX_mol]

Thanks a lot @CG_martini!

[VTX @VTX_mol]

Our try at the mycoplasma model from @CG_martini with @VTX_mol 100 million particles, works in real time on a desktop with a rtx3080 and 32g

[VTX @VTX_mol]

@MatthieuMontes @MaximeMARIA_ @sguionni @gemellyn @jppiquem @LeCnam @M2d2Team @xlim

[VTX @VTX_mol]

@jppiquem @gemellyn

[VTX @VTX_mol]

VTX 0.4 is available for download https://t.co/Uv1AJT6igs @MatthieuMontes @M2d2Team @MaximeMARIA_ @LeCnam @sguionni
New features
SES representation
Orthographic camera.
RMSD and Structural Alignment
Categories for molecular components
Load a trajectory file on a loaded molecule.

[VTX @VTX_mol]

@rcsbPDB molecule of the month PETase and MHETase from PDB entries 5xh3 and 6qga, rendered with
@VTX_mol with the upcoming GPU SES available in the next version by the end of january!

[Adam Lahouari @AdamLahouari]

Just getting started with @VTX_mol to vizualise my trajectories from my #MolecularDynamic #Simulations on #Nanoparticles. I think that's a big win for now. Quick to load, easy to manipulate, smooth and great-looking. I recommend it for sure !

#Compchem

[VTX @VTX_mol]

@rcsbPDB molecule of the month Arp2/3 complex PDB entry 7tpt, rendered with @VTX_mol

[Nathalie Lagarde @Nath_Lagarde]

La petite contribution de la @M2d2Team à #OctobreRose.
La structure du récepteur aux oestrogènes alpha dont le dysfonctionnement est impliqué dans les cancers du sein hormono-dépendants et qui constitue une cible thérapeutique pour cette maladie.
Image réalisée avec @VTX_mol

[TINKERtools @TINKERtoolsMD]

New website for Tinker-HP @TINKERtoolsMD. It will accumulate new ressources including tutorials, an extended manual and various publications of interest. Check it out!! #compchem #HPC #supercomputing #neuralnetworks https://t.co/7po25shXrZ

[Jean-Philip Piquemal @jppiquem]

The new Tinker-HP's website (@TINKERtoolsMD) is finally launched today! It will come along with important code releases that will gradually appear until the end of the year. Check it out! #compchem

[Jean-Philip Piquemal @jppiquem]

Please RT. #compchem We are looking for an experienced #HPC engineer to work on various GPU optimizations of the Tinker-HP software @TINKERtoolsMD. Please contact me if interested. This position is funded by @ERC_Research (project ERC EMC2) and oriented towards exascale computing

[Qubit Pharmaceuticals @qubit_pharma]

🎉🤩We are very excited to announce that @jppiquem CSO &cofounder @qubit_pharma is part of the 100 inventors of the year (@LePoint french newspaper ranking). A well deserved recognition for breakthroughs he made in #quantum accelerated drug discovery. https://t.co/KcCTiJKdqw

[VTX @VTX_mol]

VTX 0.3.0 - https://t.co/gSAqv8eW9R - Open Beta
New Features:
-Measure tool.
-Freeze inspector button.
-Add color blending mode in representations.
-Add contextual menu on viewpoint container.
@M2d2Team @MatthieuMontes @MaximeMARIA_ @sguionni @jppiquem @gemellyn

[VTX @VTX_mol]

@PDBeurope molecule of the month : nicotinic acetylcholine receptor (6pv7)

rendered with the real-time engine of @VTX_mol

new release incoming!