OneAngstrom – Page 312

Turning Commands into Code: How SAMSON AI Helps Molecular Modelers Write Python Scripts

For anyone working in molecular modeling, automating repetitive tasks or prototyping analysis routines often requires scripting. But what if you’re not fully comfortable writing Python from scratch, or you just need a quick snippet to get started? That’s where SAMSON…

Create Slide-Like Breaks in Molecular Animations with the Stop Effect

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When presenting complex molecular systems, it can be difficult to explain key steps if the animation doesn’t pause at the right time. Whether you’re explaining a reaction mechanism, structural transition, or molecular interaction, jumping from frame to frame without control…

Simplifying Protein Structure Prediction with AlphaFold-2 in SAMSON

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Accurate prediction of protein structures is essential in many areas of molecular modeling—from drug design to understanding protein function. However, running AlphaFold-2 locally can be technically demanding and resource-intensive, especially without top-tier GPUs and data setup. For many researchers and…

Understanding Node Types in SAMSON: A Key to Smarter Molecular Modeling

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Molecular modelers working on complex structures often face organizational challenges. How should different molecular elements be represented? How can they be grouped, manipulated, and visualized consistently? If you’ve ever felt lost trying to manage atoms, molecules, and annotations in your…

Controlling the Search Space in Protein Docking with Hex in SAMSON

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One recurring pain in protein-protein docking tasks is the enormous search space. When both proteins are allowed to freely align in all orientations, the number of possible docking poses quickly becomes unmanageable. This not only increases computation time but also…

A Better Way to Integrate Your Tools with SAMSON

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If you work in molecular modeling, chances are you’ve built up a toolbox over the years: custom scripts, favorite web services, standalone applications. You’ve probably had the thought: “How can I connect all of this with my modeling workflows more…

Design in the Dark: Why Switching to Dark Mode in SAMSON Might Help You Work Better

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For many molecular modelers, late-night research sessions and extended hours of screen time come with the territory. But long exposure to bright interfaces can cause eye strain and fatigue, particularly in dim environments. If you’re working on molecular design in…

Quickly Surround Proteins with Lipid Bilayers in SAMSON

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Generating lipid bilayers around proteins is a common step in membrane protein modeling, but it often involves multiple tools, file format conversions, and error-prone setup steps. If you’ve ever found yourself frustrated by having to script this process—or worse, trying…

From Rings to Tubes: Building Carbon Nanotubes in SAMSON

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Designing nanoscale architectures like carbon nanotubes (CNTs) is often a tedious challenge in molecular modeling. Aligning atoms, replicating units, and preserving bonding integrity can take hours of meticulous work, even for small structures. If you’ve ever tried to build a…

Get Cleaner Models Faster: Tuning Builder Preferences in SAMSON

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When modeling molecules, minor tweaks can save significant time and help prevent structural errors. One of the most common frustrations for molecular modelers using design platforms is having to manually fix issues like overlapping atoms, inconsistent hydrogen counts, or unrealistic…