Author: OneAngstrom

For molecular modelers, exploring trajectories or cycling through molecular conformations can be essential for understanding critical mechanisms. Whether you’re visualizing molecular dynamics simulations or tracing structural transformations, SAMSON’s Play reverse path animation can be an invaluable tool for these tasks.…

As a molecular modeler, you’ve likely encountered the challenge of selecting exactly what you need in a large, complex molecular structure. Whether you’re analyzing a specific residue, a set of atoms, or grouping structural elements, selecting the right components accurately…

Atom selection and editing are fundamental tasks for molecular modelers. Whether you’re designing nanoscale structures or analyzing molecular interactions, being able to pinpoint and modify specific atoms can greatly enhance your workflow. SAMSON's Simple Script Extension offers a powerful and…

As a molecular modeler, efficiently converting umbrella sampling data into a clear Potential of Mean Force (PMF) profile can sometimes feel like a challenging task. If you’ve ever struggled with aligning varying simulation data or ensuring accurate representation of your…

Molecular modeling often involves repetitive or complex tasks—zooming in on specific regions, selecting certain components, applying visual styles—tasks that, while essential, can slow down your workflow. If you’re using the SAMSON molecular design platform, you’ll be happy to know there’s…

If you work with molecular models, you’ve likely faced the challenge of making your visualizations intuitive yet visually engaging for presentations or analyses. The ‘Appear’ animation in the SAMSON platform is a valuable tool that can address this issue by…

One of the common challenges molecular modelers encounter is the need to simulate systems with multiple replicas of the same protein. Whether preparing coarse-grained models or evaluating different molecular dynamics setups, managing replicas efficiently is key to saving time and…

For molecular modelers navigating the intricate world of molecular design, visualizing dynamic behaviors can be a game-changer. Imagine being able to control when specific elements of your molecular model appear and vanish seamlessly in your presentation. The Flash animation in…

Molecular modeling often requires detailed analysis of atomic movements, whether for reaction coordinate studies, free energy calculations, or simply to visualize how atoms interact along a pathway. But extracting and processing this data can often feel complex and time-consuming. Luckily,…

Molecular dynamics (MD) simulations often demand significant computational power, particularly for large systems or extended simulation times. Running these tasks on a local machine might not always be feasible, especially when processing power is limited. If you’ve ever wondered how…