Author: OneAngstrom

Molecular modelers often juggle multiple structures, data sources, and editing operations all within a single session. As projects grow in size and complexity—especially in fields like drug discovery, protein engineering, or materials science—managing the structure and content of your workspace…

Carbon nanotubes (CNTs) are central to research in nanotechnology, materials science, and molecular modeling. But for many scientists, creating accurate single-walled or multi-walled CNTs in 3D can still be a frustrating experience — either due to lack of tools or…

Creating custom crystal structures is a valuable skill for anyone working in materials science, solid-state chemistry, or molecular modeling. Whether you’re studying lattice strain, dopant behavior, or crystalline defects, simulating accurate, made-to-measure crystal models is essential. Fortunately, SAMSON’s Crystal Creator…

If you’ve ever spent hours building a complex molecular model only to realize that a few clicks wrecked it — you’re not alone. One of the recurring challenges in molecular modeling is the risk of losing work due to unintended…

When preparing a molecular presentation or animation, communicating docking—how molecules or fragments fit together—is often more than just showing two structures side by side. A static image of a docked complex may be clear to experienced modelers, but lacks the…

Molecular modelers often create presentations or simulations to clearly convey structural behaviors or dynamics. But sometimes, static images don’t quite capture everything — and even traditional rotations can feel flat. If you’re trying to draw attention to the spatial arrangement…

Visualizing molecular trajectories or conformational transitions is a core need in molecular modeling. Whether you’re tracking a ligand moving through a tunnel, observing backbone flexibility, or reviewing snapshots of a molecular dynamics simulation, being able to animate the path clearly…

When running GROMACS simulations, defining custom selection groups—also known as index groups—can be essential. These groups allow for targeted analysis, pulling configurations, and interaction computations. However, editing GROMACS .ndx files manually is tedious and error-prone, especially when dealing with large…