Author: OneAngstrom

Molecular modelers often juggle multiple structures, simulations, and scripts all at once. Keeping track of everything inside a complex molecular modeling project can quickly become overwhelming—especially when dealing with large biomolecular systems or comparing multiple candidate structures. That’s where the…

Carbon nanotubes (CNTs) are widely used in nanotechnology, materials science, and molecular simulation. But for many molecular modelers, designing a CNT manually—with precise atomic control—can be tedious and unintuitive. Whether you’re prototyping a custom topology or studying interactions at the…

If you’ve ever worked on a large-scale protein modeling or virtual screening project, you’ve probably experienced the tedious task of preparing many protein structures for simulation or docking. Downloading PDB files, cleaning them, removing unwanted molecules, and adding missing atoms…

Finding accurate transition paths between molecular conformations is a key task in computational chemistry and molecular modeling. Yet, the process can be time-consuming and computationally expensive, especially if not properly initialized or accelerated. A major pain point for researchers is…

For molecular modelers working with free energy calculations, computing the Potential of Mean Force (PMF) can be a challenging and often error-prone process. One of the most common bottlenecks is merging umbrella sampling results into a reliable PMF profile. Errors…

One of the recurring challenges for molecular modelers—especially those new to a platform—is getting started with complex software tools and understanding how to perform key tasks without getting overwhelmed by documentation. If you’ve ever faced a steep learning curve when…

When preparing molecular animations, one of the common challenges faced by modelers is creating smooth and accurate camera movements that highlight important molecular features without disorienting the viewer. A particularly useful animation in SAMSON is the Orbit camera, which makes…

Molecular modelers often need to visualize complex structures where clear, distinguishable visual components enhance interpretation. Whether you’re color-coding residues, chains, subunits, or datasets, using carefully designed color palettes is key. Poor palette choices can make important elements indistinguishable, especially for…