Author: OneAngstrom

When presenting molecular designs or creating educational content, timing and visibility can make a big difference. Instead of overwhelming viewers with full molecular structures displayed at once, imagine revealing atoms and bonds gradually—highlighting the assembly or focus of a system…

Molecular modelers working with GROMACS often rely on specific versions of the simulation software, either for reproducibility or to take advantage of local custom builds. However, many tools that simplify the setup of molecular dynamics simulations don’t make it easy…

When working on complex molecular systems, visual clarity is vital. Whether you’re zooming in on a protein-ligand interaction or looking at the overall structure of a macromolecular complex, being able to shift perspectives quickly makes a difference. Fortunately, SAMSON offers…

Molecular modelers often face a common hurdle when setting up pulling simulations using GROMACS: how to define custom index groups that don’t appear in the default list. Whether it’s pulling a specific protein chain or restraining a certain region of…

One of the challenges in simulating real materials is going beyond the ideal crystal structure. In physical reality, materials often contain defects, which can completely alter their properties — from electronic behavior to mechanical resistance. Fortunately, the Crystal Creator extension…

Creating large or repetitive molecular structures manually can be a frustrating and time-consuming task, whether you’re building nanotubes, simulating repetition in crystals, or prototyping nanoscale machines. Many molecular modelers spend hours copying, rotating, and aligning fragments, often repeating the same…

When working with molecular dynamics simulations or exploring molecular mechanisms, it’s common to want to stay focused on a specific group of atoms as they move. Whether you’re tracking a ligand during binding, following a mobile domain during a conformational…

Any molecular modeler who’s ever tried to select a specific subset of atoms or residues in a large biomolecular structure knows the frustration: zooming in, clicking atom by atom, missing one, and starting over. But what if you could describe…