Author: OneAngstrom

Creating compelling molecular presentations isn’t just about showing beautiful structures — it’s also about helping your audience grasp what’s happening at the molecular level. One frequent need for structural biologists and molecular modelers is to present docking and undocking events,…

Designing new molecules often begins with a single starting point: your molecule of interest. But turning that molecule from a theoretical representation into a ready-to-edit structure in a 3D design environment can take time — unless you’re using the SMILES…

When creating molecular animations to highlight specific steps in a mechanism, processes in a simulation, or structural features of a complex system, precise control over visibility can make or break the effectiveness of your presentation. One common challenge that many…

For molecular modelers, one recurring challenge is precise atom or residue selection—especially in large or complex systems. Traditionally, users rely on syntax-heavy search commands, filters, or visual inspection, which can slow down workflows and introduce errors. However, there’s a more…

One of the persistent challenges in computational structural biology is predicting how to open or close a binding pocket in a macromolecule like a protein. Whether you’re studying allosteric effects, conformational gating, or simply trying to dock a ligand into…

Molecular modelers and educators often face a common challenge: how to visually trace and document the atomic motion resulting from complex simulations or animations when presenting molecular mechanisms. Whether you’re simulating molecular docking, assembling a protein complex, or showcasing a…

When working with molecular systems, the accuracy of simulations often depends on proper atom typization and bond order assignment. Most molecular modelers rely on automated perception to handle this, especially when using force fields like the Universal Force Field (UFF).…