VTX

New publication out! doi.org/10.1093/bioinf… @VTX_mol is open source and freely accessible for non commercial use Builds available at vtx.drugdesign.fr

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

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

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

## [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.

Thanks a lot @CG_martini!

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

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

@jppiquem @gemellyn

VTX 0.4 is available for download vtx.drugdesign.fr @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.

@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!

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

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

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

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 tinker-hp.org

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

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

🎉🤩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. lepoint.fr/sciences-natur…

VTX 0.3.0 - vtx.drugdesign.fr - 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

@PDBeurope molecule of the month : nicotinic acetylcholine receptor (6pv7) rendered with the real-time engine of @VTX_mol new release incoming!