Author: OneAngstrom

When constructing complex molecular systems, one common challenge modelers face is positioning fragments exactly where they should go. Whether you’re combining rings, functional groups, or biomolecular motifs, ensuring correct orientation can make or break your structure. Misplaced fragments can lead…

One of the most common challenges in molecular modeling is making sense of complex molecular systems. Beyond raw data like atom coordinates, researchers need intuitive visual representations to explore, analyze, and communicate their findings effectively. This is where visual models…

Interactive energy minimization is one of the most common steps in preparing molecular structures for modeling, especially when repairing imported geometries or refining parts of a system. However, many molecular modelers face the challenge of needing to minimize only a…

Many molecular modelers run into the same problem when trying to refine a local geometry: they want to minimize just part of a molecule without affecting everything else. Say you’ve modified a side chain, added a ligand, or just built…

When preparing molecular animations or visual protocols in SAMSON, one common frustration is dealing with unintended camera movements that disrupt the flow of a presentation. Many users don’t realize that the view of their molecular system may shift unexpectedly if…

One common struggle for molecular modelers is turning complex molecular data into clear, insightful visualization. Whether you’re analyzing a protein’s folding, looking at an electron density map, or comparing molecular surfaces, effective visual representation is often the first step toward…

For molecular modelers dealing with polymers, flexibility is key. Whether you’re exploring polymers for materials science or designing synthetic biopolymers, you often start from specific molecular fragments or building blocks. But turning those fragments into reusable, structured monomer units can…

When presenting molecular systems, clarity is key. Whether you are illustrating a dynamic interaction or simply emphasizing a structural element, controlling what appears at which time can dramatically improve your viewers’ understanding. That’s where the Flash animation effect in SAMSON…

For many molecular modelers, installing and configuring GROMACS — especially with specific compiler flags, MPI settings, or GPU configurations — is a significant hurdle. It can take hours or even days to get everything working properly and reproducibly across different…