Author: OneAngstrom

When working on complex molecular models, clarity is key. Visualizing structural measurements like bond lengths or angles is essential—but what’s equally important is how these measurements are displayed. Without appropriate visual cues, it’s easy for annotations to clutter your workspace…

When working with complex molecular systems, clarity can make all the difference. Whether you’re preparing a visual presentation, creating educational content, or just trying to understand your model better, sometimes you need to peel apart layers of atoms and structures…

One of the challenges in performing Umbrella Sampling for free energy calculations is obtaining a good set of initial conformations spaced appropriately along a reaction coordinate. Too few or poorly spaced conformations can lead to inaccurate results or wasted computational…

For molecular modelers, the ability to see the system they work on is a key part of understanding, interpreting, and communicating results. Whether you’re looking at atomic arrangements, protein folding, or electrostatic maps, meaningful visualizations go beyond aesthetics—they are functional…

Creating molecular dynamics models with multiple protein replicas is a common task for molecular modelers studying crowding effects, self-assembly, or large biomolecular systems. However, a hidden pitfall often emerges when preparing these models for coarse-graining: inconsistent or conflicting residue and…

Researchers and students working in shared or institutional computing environments often face a common barrier: lack of administrative privileges. Installing complex software like molecular modeling platforms often requires admin rights, which can slow down productivity and involve administrative delays. If…

One common challenge for molecular modelers is going from raw data — a list of atoms, their positions, or interaction energies — to a clear and compelling representation of a molecular structure or phenomenon. Whether you’re trying to understand a…

Have you ever spent time crafting a clear view of your molecular system, only to find the camera angle inexplicably shifts during playback or renders? If you’re using SAMSON for molecular modeling and presentations, this might sound familiar. Thankfully, there’s…

Designing new analogues of a lead compound is a daily task for many molecular modelers and medicinal chemists. But one recurring challenge remains: how can we efficiently suggest and visualize meaningful changes to a molecule—and study their effect on properties…

When working with molecular structures, selecting specific atoms based on precise conditions can be time-consuming and error-prone. Graphical selection tools may be sufficient for simple tasks, but what if you need to isolate only carbon and hydrogen atoms? Or atoms…