Author: OneAngstrom

Introduction to Visual Presets For molecular modelers, visualizing complex molecular systems effectively and efficiently is key. However, applying detailed visual representations and color schemes can quickly become painstaking, especially when dealing with intricate molecular structures. This is where SAMSON’s Visual…

For molecular modelers, setting up and running protein-ligand docking workflows can be a daunting task. Between preparing proteins, defining binding sites, and configuring ligands, the steps can quickly become cumbersome and error-prone. That’s where the FITTED Suite SAMSON Extension comes…

Molecular modeling often involves repetitive tasks, such as running simulations on multiple molecular states or a set of related systems. For researchers, manually setting up these numerous simulations can quickly become tedious and error-prone. To address this challenge, GROMACS Wizard…

Molecular dynamics (MD) simulations are fundamental tools in computational molecular modeling. However, ensuring accurate results relies on the careful selection of input files. As a molecular modeler, you’ve likely faced the challenge of managing complex input structures from prior simulations…

As a molecular modeler, visualizing complex atomic structures is often the key to understanding and solving critical design problems. However, when working with intricate models, displaying all atoms and bonds at once can be overwhelming and hinder effective communication. This…

For molecular modelers, adaptability is often a lifeline. Each project comes with unique challenges, and the tools in hand must scale accordingly. This is where the modular architecture of SAMSON becomes invaluable. With its vast ecosystem of Extensions, SAMSON empowers…

For molecular modelers, flexibility and precision in constructing custom polymers are critical. Whether you are designing synthetic chains for material science or tailoring biopolymers for simulation, the ability to register and manipulate base units (monomers) efficiently can significantly speed up…

Molecular simulations require careful preparation to ensure accurate results. One critical step in this process is neutralizing the molecular system by adding appropriate ions. For researchers using GROMACS Wizard in SAMSON, this guide will walk you through the essentials of…