Producing clear and informative molecular visuals can be challenging when you’re limited by dull or overly simplified representations. If you’re working on molecular simulations, drug discovery, or simply trying to better illustrate complex biomolecular interactions, having control over how your…
When creating molecular presentations, visual clarity contributes significantly to the understanding and impact of your work. One common challenge molecular modelers face is: how can I make my presentation visually coherent while transitioning between multiple views? This is especially relevant…
Designing molecules often starts with a good sketch. But many molecular modeling tools lack an intuitive way to draw molecules while simultaneously seeing their 3D structure evolve. If you’ve ever wished you could build and edit molecules directly in 2D…
When working on complex molecular models, it’s not uncommon to make an action you wish you could take back. Perhaps you moved an atom group the wrong way or applied a transformation prematurely. These situations are especially common during exploratory…
When working with complex molecular systems, molecular modelers often need to focus on specific types of atoms for visualization, simulation setup, or analysis. For example, you might be preparing a study on metalloproteins or need to isolate metal ions in…
Cycles is the famed Blender renderer used by countless animators and VFX artists. We integrated Cycles in SAMSON to make it extremely easy to produce fantastic-looking molecular images and animations. Here’s a short thread that explains the 5 simple steps:…
The fragmentation challenge Researchers in pharmaceutical companies are continually searching for better and faster ways to design drugs, but a long-standing challenge has been to juggle with independently designed software and data sources. Incompatible formats and workflows, disparate system requirements…
To quickly prepare a protein structure in SAMSON (remove alternate locations, ligands, water and monatomic ions, and add hydrogens), click on Home > Prepare, select the steps you would like to include, and click Ok.
To quickly integrate simulators (e.g., XTB, ABINIT, BigDFT, LAMMPS, etc.) and use them in Python within SAMSON, you can use the Atomic Simulation Environment (ASE) package. This allows you to perform interactive and scripted calculations, simulate chemical reactions, etc. More…
To activate clipping in SAMSON, hold Ctrl + Shift and click where you would like the clipping plane to be (or in the void to stop clipping). You can then use Ctrl + Shift + Wheel to move the clipping…
