Author: OneAngstrom

For molecular and materials modelers, reproducing realistic structural behaviors of crystals is essential for accurate simulations. One recurrent challenge is incorporating and visualizing point defects—like vacancies or substitutions—into periodic crystal models. These small changes can drastically affect the physical and…

When communicating molecular mechanisms, clarity matters. Whether for educational content, journal illustrations, or presentations, effectively showing what appears—and more importantly, what disappears—can help molecular modelers deliver their message without visual noise. If you’ve ever needed to hide specific molecules or…

When modeling molecules, accurate and up-to-date measurements are critical. Whether you’re working on distances, angles, or torsions, being able to capture and revisit your measurements — and share them clearly with colleagues — can save time and reduce ambiguity in…

Whether you’re running simulations, training machine learning models on molecular data, or preparing a paper, molecular modeling projects often involve more than just molecules. You may need Python scripts, research images, datasets, PDFs, and more. Managing all of these scattered…

Creating clean, expressive images of molecular systems often involves a lot of manual adjustments—choosing representations, applying colors, tweaking rendering settings. While this flexibility is essential, it can become tedious when you need consistent visuals or just want to focus on…

When you’re working on molecular simulations, every misstep in the pipeline can cost hours of time—and the energy minimization step is no exception. A common source of frustration among molecular modelers is selecting the wrong input file just before launching…

One of the persistent challenges in computational molecular modeling is maintaining productivity while long tasks — like energy minimization — are running. If you’ve ever initiated a simulation and found yourself waiting, uncertain whether to keep SAMSON running or not,…

Managing large molecular design projects often involves juggling multiple structures, scripts, and associated data files. For many scientists and modelers, this can quickly become overwhelming—particularly when trying to locate specific elements, toggle between tasks, or share their work. Fortunately, SAMSON…