OneAngstrom – Page 389

An Easier Way to Work with Residue Selections Across Views

When analyzing biomolecular structures, a common frustration is keeping selections consistent across different representations of your model. If you select a residue or chain in a 3D viewport, it can be tedious to track it back to its sequence position—or…

No GROMACS Install? No Problem.

OneAngstrom

Installing GROMACS for molecular modeling and simulation has traditionally been a technical barrier for many researchers and students. It often involves downloading source code, managing dependencies, ensuring compatibility with specific compilers, and sometimes taking deep dives into system-level settings. If…

Controlling Visibility and Selection in Molecular Models with NSL

OneAngstrom

Working with large molecular systems often means dealing with a lot of visual clutter. Whether you’re preparing illustrations for a paper or simply trying to understand a structure better, it’s common to want to hide some elements and highlight others.…

A More Precise Way to Select Node Groups in SAMSON

OneAngstrom

When you’re working with complex molecular systems in SAMSON, quickly finding and editing specific parts of your model can be challenging — especially when your structure involves large biomolecules, molecular assemblies, or nested node groups. Fortunately, SAMSON’s Node Specification Language…

Quickly Visualize Symmetric Protein Assemblies from PDB Files

OneAngstrom

If you’ve ever loaded a PDB file into your molecular modeling environment only to find a lone asymmetric unit floating in empty space, you’re not alone. Most PDB files describe just the minimal repeating unit of a biological assembly or…

Getting the Right Molecular Selection with Selection Filters in SAMSON

OneAngstrom

When working on complex molecular systems, the ability to quickly select relevant atoms, residues, or molecules is vital. Whether you’re visualizing a protein-ligand interaction, preparing a simulation, or analyzing channels through a membrane, making precise selections can save time and…

Selective Visibility in Molecular Models: A Simple Way to Focus on What Matters

OneAngstrom

Molecular modelers often face a common challenge: navigating through visually complex structures to focus on specific parts of interest. Whether you are preparing figures for presentations, examining a ligand-binding site, or trying to identify specific substructures, controlling what is visible—and…

From Trajectory to Insight: Selecting Initial Conformations for Umbrella Sampling in SAMSON

OneAngstrom

Molecular simulations often rely on enhanced sampling techniques to capture rare events or transitions. One such method is Umbrella Sampling, widely used to estimate free energy profiles along reaction coordinates. However, a common challenge many molecular modelers face is determining…

A Clear Way to Show Atomic Appearances in Your Molecular Animations

OneAngstrom

When building animations in molecular modeling, a common challenge is highlighting which atoms or residues are appearing, disappearing, or changing over time. For presentations, educational videos, or simple visualization clarity, we often need a way to guide the viewer’s focus…

From SMILES to 3D: A Simple Way to Generate Molecular Models in SAMSON

OneAngstrom

Have you ever had a long list of SMILES strings and wished there were an easy, visual way to convert them into 3D structures? Whether you’re building a virtual screening library, exploring molecular properties, or just trying to visualize molecules…