OneAngstrom – Page 399

Avoiding Common Pitfalls in Protein Docking: Do You Really Need to Preprocess Your Structure?

If you’ve ever docked a ligand into a protein structure and wondered why the results weren’t quite what you expected, you’re not alone. One of the most frequent—and easily overlooked—issues in molecular docking is whether to perform protein structure preparation…

Avoiding Chain ID Conflicts When Creating Protein Replicas

OneAngstrom

When working with protein systems, especially in coarse-grained (CG) simulations using force fields like MARTINI, it’s common to use multiple copies of a protein within a simulation box. But as many molecular modelers have experienced, creating replicas can easily lead…

Clarify Protein–Ligand Interactions with Interactive 2D Diagrams

OneAngstrom

For molecular modelers working on protein-ligand complexes, deciphering complex interaction patterns can be challenging, especially when navigating dense 3D environments. Identifying hydrogen bonds, hydrophobic contacts, and clashes visually in 3D often requires substantial effort—and sometimes even multiple tools. The Interaction…

Tired of your molecular view drifting in animations?

OneAngstrom

When creating molecular animations, one common frustration is the unintended shifting of the camera viewpoint between frames. You might spend time meticulously orienting your view—zooming, rotating, and positioning molecules just right—only to discover that later frames don’t retain your chosen…

A Quick Guide to Building Multi-Walled Carbon Nanotubes in SAMSON

OneAngstrom

For molecular modelers working with carbon nanostructures, creating accurate models of carbon nanotubes (CNTs) can be a time-consuming task—especially when aiming to simulate or analyze multi-walled configurations. Whether you’re preparing for a simulation, visualizing a nanostructure for publication, or testing…

Easily Orbit Around Molecules for Better Presentations and Insight

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Presenting molecular systems in a clear, engaging way is a common need for researchers, educators, and communicators alike. Whether you’re showcasing structural data to colleagues or creating instructional videos for students, dynamic camera paths can greatly enhance visual comprehension. A…

Easily Filter and Organize Molecular Models with Node Group Attributes in SAMSON

OneAngstrom

As molecular models grow in complexity, efficiently managing and analyzing components becomes a challenge. One common pain for molecular modelers is filtering and operating on specific groups without manually selecting them repeatedly. If this sounds familiar, SAMSON’s Node Specification Language…

Avoid Disorienting Zooms in Molecular Animations with One Simple Setting

OneAngstrom

Creating scientific animations in molecular modeling often calls for highlighting specific regions of a system—zooming in to show molecular interactions, active sites, or conformational shifts. But many users face the same issue: a zoom that changes the entire viewpoint, resulting…

Why Molecular Modelers Should Care About Versioning

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When working on molecular models across different projects, teams, or institutions, it’s easy to lose track of the evolution of files, features, and visual results. A common pain shared by molecular modelers is wondering which version of a model was…

Visualizing Molecular Transformations with a Smooth Fade

OneAngstrom

When creating scientific animations, small choices in transitions can make a big difference in how clearly your message is received. In molecular design, showing the evolution of a system often requires highlighting some parts of the structure while reducing the…