Author: OneAngstrom

For molecular modelers, ensuring that a protein structure is realistic and energetically favorable often involves handling local conformational tweaks. Spotting and correcting outliers among residues is a common pain point, especially when preparing for simulations or refining models. In this…

For molecular modelers, visualizing and designing interactions between molecules in both 2D and 3D can often feel disjointed. The Interaction Designer in SAMSON changes this by offering an integrated approach for synchronizing 2D molecular interaction diagrams and a 3D viewport,…

Refining protein structures can be tricky business for molecular modelers, especially when it comes to ensuring residues are in energetically favorable conformations. This is where the Interactive Ramachandran Plot Extension in SAMSON becomes an invaluable resource. This tool not only…

Creating clear and aesthetically pleasing molecular visualizations can often be a challenge for molecular modelers. Whether you are analyzing molecular structures or preparing visuals for a presentation or publication, the demand for high-quality imagery is constant. Thankfully, SAMSON’s powerful Visual…

In molecular modeling, effectively visualizing transitions between conformations or analyzing trajectories can be crucial for gaining insights into molecular behavior. If you’ve ever wanted to study a molecular motion in reverse, SAMSON’s Play reverse path animation offers an efficient and…

For molecular modelers aiming to discover ligand unbinding pathways from proteins, preparing the system is an essential and sometimes challenging task. A common hurdle lies in defining the starting conformation, selecting ligand and protein atoms correctly, and ensuring proper alignment…

Molecular modelers often grapple with the challenge of transforming simple SMILES (Simplified Molecular Input Line Entry System) strings into meaningful 3D molecular structures for simulations and analysis. This task can be tedious, especially when dealing with multiple molecules or encountering…

For molecular modelers, visualizing and understanding complex interactions between molecules is a vital part of the design process. However, it can be challenging to bridge the gap between 2D representations and 3D structures in an efficient and intuitive manner. The…

If you're a molecular modeler, you've likely encountered challenges when trying to visualize complex molecular systems. Whether it's understanding spatial arrangements or presenting your findings clearly, generating animations that simplify structural representations can be crucial in making your work accessible…