Author: OneAngstrom

Tracking molecular motion can be essential in areas ranging from free energy calculations to visualizing ligand unbinding. Yet, if you’ve ever tried to get a clean set of coordinates for just a ligand traveling through a protein tunnel, you know…

Navigating a new molecular design platform can be daunting. When you launch SAMSON for the first time, you might be wondering: where do I start? SAMSON’s ability to simulate, visualize, and design molecular systems is broad, but getting past the…

When working with complex molecular systems, full structural minimization can be overkill. Sometimes, modeling efforts focus on just one region of a molecule: the active site, a flexible loop, or a region that just underwent manual editing. In such situations,…

Installing software in a shared or restricted computing environment can be frustrating—especially for molecular modelers working on university or institutional machines where administrative access is often limited. If you’ve ever faced barriers just trying to install tools crucial for your…

If you work in a research lab or academic group, you’ve probably faced the challenge of coordinating and sharing resources with colleagues. Fragmented file sharing, unclear permissions, and never-ending email chains can lead to confusion—and lost time. That’s why more…

When creating molecular animations or scientific presentations, clarity and engagement are just as important as technical accuracy. One often overlooked detail that can drastically improve the quality and flow of molecular presentations is the background. A sudden background change between…

In molecular modeling, one of the persistent challenges is how to clearly communicate complex structural changes or highlight specific atoms during a presentation or video. A static model often fails to deliver the impact of a dynamic transition, especially when…

Many molecular modelers eventually encounter the limitations of pre-existing software tools. Whether it’s a need to automate a repetitive task, implement a custom visualization, or integrate a proprietary force field, there’s often a gap between what’s available and what’s needed.…