Author: OneAngstrom

For molecular modelers, filtering and selecting specific structures within vast molecular datasets can often feel daunting and time-consuming. SAMSON’s Node Specification Language (NSL) provides a powerful, streamlined way to tackle this challenge, offering quick and precise methods for searching and…

Molecular modeling often involves crafting precise visual presentations to communicate complex scientific phenomena. Whether you’re exploring protein-ligand interactions or visualizing intricate molecular systems, camera movements play a pivotal role in ensuring your audience grasps what you’re presenting. This is where…

Molecular modeling is an essential tool in drug discovery, materials science, and biochemistry, allowing researchers to simulate, analyze, and design molecular systems. However, a common pain point for many modelers is managing topological changes in molecular structures during interactive editing.…

When working on complex molecular modeling projects, mistakes or changes in direction are inevitable. Being able to backtrack actions is essential for streamlining workflows and avoiding errors. This is where SAMSON’s Undo and Redo functionalities come into play, providing a…

For molecular modelers, animating complex molecular interactions is often time-consuming and technically challenging. In particular, creating a seamless undocking process for atoms or molecular meshes can feel tedious, especially when precision and presentation clarity matter the most. That’s where SAMSON’s…

For molecular modelers, tailoring simulations to their specific needs is often a challenging task. One such challenge occurs when the default GROMACS index groups don’t align with your research requirements. Maybe you need to define pull groups, work with a…

In molecular modeling, obtaining an accurate potential of mean force (PMF) using techniques like umbrella sampling can be challenging, particularly when preparing initial conformations for your simulations. If you are already straining under the complexity of molecular dynamics setups, SAMSON’s…