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Author: OneAngstrom

Choosing the Right Discrete Color Palette for Your Molecular Models

OneAngstrom

Color is more than aesthetics in molecular modeling – it’s a key part of communication. Whether you’re distinguishing chains in a biomolecular complex or visualizing multiple residues, choosing the right discrete color palette can make your visualizations clearer and easier…

Seeing Molecules Clearly: What SAMSON’s Visual Models Can Do for You

OneAngstrom

One of the recurring challenges in molecular modeling is how to visually explore and present complex nanosystems. Whether you’re designing a macromolecular assembly, analyzing electron density data, or preparing figures for a presentation, you’ve probably wished for better control over…

Tired of cluttered molecular scenes? Try controlling label visibility with NSL

OneAngstrom

Visual clarity is critical in molecular modeling. When working with complicated systems that include hundreds or thousands of labeled nodes—atoms, residues, fragments—it’s easy to lose focus. That’s why being able to precisely control which elements are currently shown is essential.…

Quickly Select Protein Chains with Specific Properties in SAMSON

OneAngstrom

If you work with molecular models of large biomolecules, you’ve probably encountered the challenge of selecting chains based on specific features like visibility, atom count, charge, or chain ID. Especially when dealing with complex proteins or assemblies, manually browsing through…

Bringing Molecular Models to Life: Rocking Atoms for Clearer Presentations

OneAngstrom

Presenting molecular structures to others can be a challenge, especially when static images fail to capture important spatial relationships and behavior. Whether you’re teaching, preparing a publication, or simply sharing a beautiful molecular system with your colleagues, clarity often lies…

Keeping the Essential Waters: Selectively Delete Crystal Waters in Molecular Simulations

OneAngstrom

Anyone working with biomolecular simulations knows the drill: you fetch a structure from the Protein Data Bank and it comes with water molecules — hundreds of them, sometimes thousands. The big question is: which ones should you keep? In many…

Make Molecular Models Breathe with the Pulse Animation in SAMSON

OneAngstrom

When you’re presenting molecular models, particularly during a talk, an animation, or even while creating educational videos, it’s important to guide your audience’s attention to certain structures without overwhelming them. One common challenge molecular modelers face is how to make…

Why FIRE Minimization Outpaces Steepest Descent (and When to Use It)

OneAngstrom

As a molecular modeler, you’ve likely faced slow structural relaxation in systems with collective motions—especially when preparing simulations or refining models after manual manipulations. If you’ve used the steepest descent algorithm and watched the energy barely drop while your patience…

Tired of Tedious Molecular Simulations? Here’s a Fast Setup with IM-UFF

OneAngstrom

Setting up molecular simulations can be frustratingly complex, especially when you’re trying to model systems that undergo structural changes. In many tools, altering bonds or atom types mid-simulation requires stopping, resetting, and restarting the entire process. That’s a workflow killer.…

How to Efficiently Search and Filter Molecular Files in SAMSON Using NSL

OneAngstrom

When working with large molecular systems or projects involving multiple molecular files, it’s easy to lose time looking for relevant data within complex models. Fortunately, SAMSON’s Node Specification Language (NSL) offers a clean, expressive way to query and filter elements…

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