Author: OneAngstrom

Analyzing molecular shapes along trajectories is an essential task for molecular modelers, especially when identifying subtle shape changes in systems such as protein folding or supramolecular assemblies. However, relying solely on common indicators like the radius of gyration can sometimes…

For molecular modelers looking to dive into coarse-grained simulations, preparing your system correctly is a vital first step. Yet, the process of assembling topology files, setting up periodic boxes, solvating the system, and adding ions can seem daunting. Thankfully, the…

Symmetry plays a crucial role in molecular modeling and design, offering insights into both structure and function. For molecular modelers working on complex biological assemblies like proteins, viral capsids, and nanoparticles, symmetry detection isn’t merely an aesthetic pursuit—it’s a practical…

For molecular modelers exploring protein transitions with the Protein Path Finder app, one critical step that can greatly impact results is defining the sampling box. This step determines the sampling region for active atoms, influencing sampled conformational states and resulting…

In molecular modeling, showcasing specific portions of your system with precision is crucial for presentations, analysis, or publishing results. Yet, achieving a perfectly seamless zoom effect without disturbing target points can often be a challenge. Enter the Zoom Camera animation…

Filtering through a sea of molecular data can be a daunting challenge for molecular modelers, especially when working with complex systems and large selections. However, SAMSON’s Inspector offers an elegant solution: attribute filtering. This feature allows users to efficiently highlight…

For molecular modelers dealing with vast datasets or numerous simulations, configuring workflows for each system or conformation can quickly become a tedious and time-consuming task. If you’ve ever wished for a smarter solution to effortlessly handle multiple simulations without repetitive…

For molecular modelers, managing complex simulations—whether it’s protein structure prediction or molecular dynamics—is a critical aspect of their workflow. However, dealing with large datasets, ensuring cloud resources are properly utilized, and retrieving results efficiently can turn into a cumbersome process.…