OneAngstrom – Page 216

Select with Words: Natural Language Queries in SAMSON AI

For molecular modelers, one recurring challenge is precise atom or residue selection—especially in large or complex systems. Traditionally, users rely on syntax-heavy search commands, filters, or visual inspection, which can slow down workflows and introduce errors. However, there’s a more…

How to Find Motions That Open a Binding Pocket in Seconds (Without Manual Tinkering)

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One of the persistent challenges in computational structural biology is predicting how to open or close a binding pocket in a macromolecule like a protein. Whether you’re studying allosteric effects, conformational gating, or simply trying to dock a ligand into…

Tracking Atomic Motion: A Practical Guide to Recording Paths in Molecular Animations

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Molecular modelers and educators often face a common challenge: how to visually trace and document the atomic motion resulting from complex simulations or animations when presenting molecular mechanisms. Whether you’re simulating molecular docking, assembling a protein complex, or showcasing a…

Manually Controlling Atom Types and Bond Orders in Your UFF Simulation

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When working with molecular systems, the accuracy of simulations often depends on proper atom typization and bond order assignment. Most molecular modelers rely on automated perception to handle this, especially when using force fields like the Universal Force Field (UFF).…

How to Find Large Molecular Conformations with NSL

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When studying large molecular systems, modelers often need to isolate specific conformations based on size—such as filtering out all conformations with fewer than 100 atoms. Manually scanning through complex molecular systems can be time-consuming and error-prone. Fortunately, the Node Specification…

Making Molecular Models Easier to Read with Shadows

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When visualizing molecular systems, researchers often struggle with a surprisingly common challenge: understanding how different parts of a structure relate to each other in space. Despite complex 3D views, depth and spatial separation can remain ambiguous—especially in crowded systems. That’s…

Quickly Find Your Favorite Camera Views in SAMSON with Attribute Filtering

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When exploring complex molecular systems in 3D using SAMSON, users often define multiple camera views: top-down, specific atom neighborhood, or tailored renderings for publication figures. As these views accumulate in a project, a common challenge arises: how to quickly find…

Quickly Find the Camera Nodes You Need in Complex Molecular Models

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When working on molecular design projects, especially when collaborating with large teams or managing complex systems, molecular modelers often deal with a variety of views and camera nodes. Navigating through dozens or even hundreds of them just to focus on…

Quickly Filter Molecular Paths by Atom Counts in SAMSON

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Molecular modelers often work with large and complex structures consisting of multiple paths or conformations. When analyzing such data, one common task is to identify and isolate specific molecular paths based on their size — for instance, focusing on paths…

Choosing the Right Color Palette for Molecular Visualization in SAMSON

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Color is more than just a matter of aesthetics when it comes to molecular modeling. A good color palette can provide insight into structural and chemical properties, helping researchers interpret their data faster and more accurately. On the other hand,…