Author: OneAngstrom

One of the recurring challenges faced by molecular modelers is fine-tuning the structural details of their models without introducing inconsistencies. Whether you’re adjusting atomic positions, types, or making minor corrections in a structure, you often want surgical precision over your…

In molecular modeling, presenting a complex mechanism often requires temporarily hiding parts of a molecular system to direct attention. For example, a protein’s active site might be buried deep within a folded structure. To highlight its dynamics, it helps to…

Running molecular dynamics simulations can be demanding on your hardware. It’s common to see users overwhelmed by lagging systems or jobs that fail due to poor performance settings. If you’re using GROMACS Wizard in SAMSON, there’s a simple way to…

Molecular dynamics (MD) simulations can be time-consuming, especially when you’re working with larger systems or limited local computational power. For many molecular modelers, long simulations mean one thing: your workstation becomes unusable for hours, or even days. Luckily, SAMSON GROMACS…

When working with coarse-grained (CG) molecular models, it’s common to simulate multiple copies—or replicas—of the same protein in a single system. This setup is especially useful for studies involving protein aggregation, diffusion, or encapsulation. However, many researchers new to coarse-graining…

When presenting complex molecular systems, the ability to guide the viewer with intuitive and smooth camera movement is invaluable. Whether you’re showcasing ligand binding, membrane embedding, or simply transitioning along a long protein structure, vertical camera movement can improve clarity…

If you’ve ever had to script repetitive molecular modeling tasks, you know how time-consuming it can be to write and debug Python code for every small operation. Whether you’re translating atoms, computing geometric properties, or trying to build a custom…