Author: OneAngstrom

Writing Python scripts for molecular modeling can unlock advanced automation, data processing, and custom workflows in SAMSON, but for many users, the idea of starting from scratch with code is daunting. If you’ve ever felt slowed down by scripting—even though…

When modeling molecular structures, clearly communicating spatial arrangements and transformations is essential. Whether preparing a teaching animation, capturing how molecules interact, or simply visualizing molecular conformations, one common need is to rotate a group of atoms to better convey a…

If you’ve ever had to manually position molecules or meshes into a pre-defined structure for visual presentations or structural studies, you know how tedious that process can be. This is especially true in molecular modeling, where visual clarity can make…

Exploring the arrangement of protein subunits is essential in structural biology, particularly when transitioning from crystallographic units to biologically relevant assemblies. A recurring challenge for molecular modelers is determining how individual protein chains relate to their symmetric counterparts, especially when…

For molecular modelers studying viral pathogens, understanding conformational changes in key proteins is more than just a matter of curiosity—it’s essential for tasks like drug design, antibody targeting, and vaccine development. One significant structure that’s drawn global focus is the…

If you’re a molecular modeler juggling multiple tools to run simulations, analyze structures, or communicate with external software, you’re not alone. Many scientists find themselves switching between environments, writing glue code to bridge tools, or manually repeating tasks that could…

When designing new molecules, especially in early-stage drug discovery, chemists often need to generate analogs by modifying specific parts of a lead compound. This process, known as isosteric replacement or fragment replacement, can be extremely tedious and laborious. Doing this…

When comparing protein structures, modelers often want more than global alignment — sometimes, they need to superimpose specific functional regions or binding domains. This is especially true when exploring conformational variability, studying conserved motifs, or building hybrid models. Yet, many…