OneAngstrom – Page 3

Let Atoms Fade Away to Highlight What Matters

When creating molecular animations to educate, explain, or discover, one of the biggest challenges is guiding the viewer’s attention. In complex molecular systems, every atom and bond contributes to visual clutter. But what if you could make selected atoms gently…

Focusing on What Matters: How to Align Specific Protein Regions in SAMSON

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When comparing protein structures, full-length superposition isn’t always the best approach. What if you’re only interested in a particular domain, motif, or set of residues? Structural noise from the rest of the protein can obscure meaningful insights where you need…

How to Choose Active Atoms with ARAP for Smarter Protein Path Planning

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When modeling protein conformational changes, efficiency matters. Exploring the full atomistic flexibility of a large biomolecule can be time-consuming and computationally expensive. This is where smart simplification strategies like the As-Rigid-As-Possible (ARAP) method come in handy — especially when using…

Effortless Filtering of Visible Molecular Presentations in SAMSON

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When working with complex molecular systems in SAMSON, keeping track of what is visible, selected, or hidden can quickly become overwhelming. Especially for users handling layered molecular scenes—such as structures with multiple representations, annotations, or overlays—rapidly filtering and managing displayed…

Why and How to Add Custom Index Groups During GROMACS Equilibration

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Molecular simulation workflows often demand flexibility, especially when it comes to tracking specific parts of a system. GROMACS users know how critical index groups are—they define atom selections used in restraints, pulling, or analysis. While GROMACS automatically generates common index…

Making Molecular Elements Disappear: A Quick Guide to ‘Hidden’ Animations in SAMSON

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When creating molecular animations or presentations, one recurring challenge is how to selectively remove elements from view to simplify the message or highlight specific molecular features. Whether you’re presenting a simulation, comparing molecular states, or narrating a process, clear visual…

Stuck in Molecular Modeling? Why Built-In Tutorials Can Make a Difference

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Molecular modeling software can be powerful, but also overwhelming—especially when you’re trying to learn new workflows quickly. Whether you’re a graduate student getting started, or an experienced researcher exploring new modules, the learning curve often feels like an uphill climb.…

What File Formats Does SAMSON Support? A Practical Guide for Molecular Modelers

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One of the most common frustrations for molecular modelers is dealing with incompatible file types across different software tools. Whether you’re switching between simulations, analyzing crystallographic data, or preparing animations, it often feels like every tool speaks its own language.…

Integrating Your Own Molecular Tools in SAMSON with Apps

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For many molecular modelers, one of the biggest obstacles with software platforms is integrating external tools or custom algorithms into their workflow. Often, powerful algorithms or scripts are developed in separate environments, making it difficult to combine them with visualization,…

Lock Your Molecular View with Precision: A Closer Look at ‘Hold Camera’

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Anyone involved in molecular modeling knows the frustration of achieving the perfect molecular orientation—only to have it unintentionally shift between animation frames. Whether you’re building a presentation or recording a molecular process, even the slightest variation in the view can…