Quickly Select Molecules by Properties in SAMSON Using NSL

If you’ve ever managed large molecular systems, you know how time-consuming it can be to manually identify and select specific molecules based on their features. Whether you’re isolating potential drug candidates, preparing a molecular visualization, or analyzing a biomolecular complex,…

Making Molecular Trajectories Clearer with Play Reverse Path

When studying complex biological systems and molecules in motion, scientists often rely on simulations that produce long trajectories. These trajectories help uncover how molecules transition between conformations, interact, and function. However, navigating and presenting these paths effectively can quickly become…

Filter Segments by Atom Types and Charges in SAMSON

When designing or analyzing complex molecular systems, it’s often essential to isolate specific parts of a model based on chemical or structural properties. Yet, manually selecting these segments in a visual interface can be tedious — especially in large-scale molecular…

Getting Started with Interactive Simulations in SAMSON

For those working in molecular modeling, one common challenge is understanding how computational models translate into actual behavior once simulations are enabled. Did the structural setup contain all necessary parameters? Is the simulation responding as expected when interacting with atoms…

Quickly Find the Right Molecular File in SAMSON Using NSL

In large molecular modeling projects, researchers often work with multiple molecular files simultaneously: ligand libraries, protein targets, simulation outputs, potential energy surfaces, and more. Navigating these files in a project tree can become tedious, especially when files are ambiguously named…