OneAngstrom – Page 95

When Pressure Matters: Stabilizing System Density with NPT Equilibration in SAMSON

One common challenge molecular modelers face lies in achieving a stable simulation environment after initial energy minimization and temperature equilibration. Even with a minimized system at the right temperature, unstable density can still derail longer molecular dynamics (MD) simulations. Fortunately,…

Speed Up Your Molecular Modeling: Filter Cameras in SAMSON with Precision

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When working on complex molecular scenes in SAMSON, it’s easy to accumulate multiple camera nodes—each representing different viewpoints, lighting setups, or visual documentation stages. But managing them efficiently can become challenging, especially when quickly switching perspectives or automating workflows. That’s…

From PDB to Motion: Visualizing Spike Protein Transitions in SAMSON

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Generating biologically meaningful motion pathways between molecular conformations—especially for large biomolecules—is a common challenge in structural biology and molecular modeling. When the structures differ in atom count or residue indexing, things can get especially tricky. If you’ve ever attempted to…

Tired of File Format Headaches in Molecular Modeling?

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One of the most common frustrations scientists face when working with molecular modeling software is file compatibility. You find the perfect dataset online, but when you try to load it into your molecular modeling environment, you’re met with cryptic error…

A Smoother Way to Tell Molecular Stories: Using ‘Move Camera’ in SAMSON

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When creating molecular presentations, it can be challenging to guide your audience’s visual focus across complex structures. Whether you are demonstrating a docking process or showing molecular assembly, static views often fall short. That’s where camera animations come in—more specifically,…

Quickly Identify Large Molecular Paths with NSL Filters

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When working with complex molecular systems, visual clutter and data overload can slow researchers down. Molecular modelers often need to isolate specific subsets of structures, such as conformational paths that involve many atoms, without manually examining each one. This is…

Share and Reproduce Molecular Pipelines with Embedded Python Scripts in SAMSON

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Keeping track of workflows in molecular modeling can be difficult, especially when switching between tools, colleagues, or machines. Have you ever had to send a list of packages to install, external scripts and readme files in an attempt to make…

Reduce Eye Fatigue During Molecular Modeling with Dark Mode in SAMSON

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Working with 3D molecular structures for extended periods can be highly engaging but also visually straining. If you’re modeling late into the evening or spending hours adjusting rendering parameters, chances are you’ve experienced some degree of eye fatigue. For users…

Reading molecules like sentences: the Sequence View in SAMSON

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Molecular modeling often requires handling complex structures like proteins, nucleic acids, or macromolecular assemblies composed of hundreds or thousands of atoms. Navigating and editing these structures without getting lost can quickly become frustrating. One of the most useful tools in…

Progressively Revealing Atoms: A Clearer Way to Build Molecular Animations

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When creating molecular animations to present simulations or structural analyses, clarity is often a challenge. Whether you’re building an educational visualization or prepping a presentation for collaborators, simply switching atoms on or off rarely provides the nuance needed to communicate…