OneAngstrom – Page 134

Design Photorealistic Molecular Models with Materials in SAMSON

When it comes to creating molecular models that are both scientifically accurate and visually compelling, the choice of materials can make a massive difference. Whether you’re customizing metallic proteins, simulating glassy channels, or adding a glowing ligand for effect, the…

Working with visibility and selection flags in SAMSON label nodes

OneAngstrom

When working on complex molecular models in SAMSON, it’s common to use annotations or graphical labels to highlight specific regions, monitor simulation data, or organize your workspace. These label nodes are versatile, but as your models grow in size and…

Quickly Filter Molecular Backbones by Visibility, Name, and More in SAMSON

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When modeling complex molecular systems, isolating specific components—like molecular backbones based on their attributes—can save a considerable amount of time and help reduce visual clutter. If you’ve ever asked yourself, “How do I hide all backbones that are not selected?”…

Mistake in Your Molecular Model? Here’s How to Safely Undo It in SAMSON

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Whether you’re tweaking geometries, testing force field parameters, or building complex biomolecular assemblies, making changes efficiently and confidently is key. But with complexity comes a familiar concern among molecular modelers: what if you make a mistake and can’t go back?…

Picking Residues in 3D is Hard: Try This Instead

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Anyone who models biomolecular systems knows how tedious it can be to manually pick specific residues in a 3D viewport. Whether you’re selecting residues for simulations, mutations, or analysis, navigating protein structures in 3D often leads to frustration—especially when chains…

Smart Ways to Select Initial Conformations for Umbrella Sampling

OneAngstrom

Running an Umbrella Sampling simulation can be time-consuming, especially when it comes to preparing the system correctly. One of the most critical — and often tedious — steps is choosing the right initial conformations. Missteps here can affect the reliability…

Why Your Extension May Not Load in SAMSON (And What You Can Do About It)

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If you’ve ever built or installed a SAMSON Extension and found that it suddenly doesn’t load anymore after updating SAMSON (or if it never loaded in the first place), you’re not alone. This blog post will help you understand why…

Easily Filter Molecular Models by Size in SAMSON

OneAngstrom

When working with complex molecular systems, especially large biomolecules or materials, molecular modelers often face the challenge of managing and organizing large numbers of structures. One common pain point is the need to filter out parts of a system based…

Managing Molecular Modeling Tools Without the Clutter: A Look at Subscribing to SAMSON Extensions

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If you’re working in molecular modeling or computational chemistry, your simulation tools can quickly become a digital jungle. Between installing plugins, keeping track of licenses, and updating packages, managing your modeling environment can be more time-consuming than the modeling itself.…

Exporting Ligand Pathway Coordinates in SAMSON: A Quick Workflow

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When setting up free energy calculations or analyzing ligand unbinding mechanisms, accessing atomic coordinates at fixed intervals along a trajectory is often a prerequisite. But extracting this data isn’t always straightforward. What if you’re interested in only a subset of…