Author: OneAngstrom

Molecular modeling often involves understanding intricate atomic movements in biomolecules, such as ligand unbinding, domain movements, or diffusion pathways. A common challenge for molecular modelers is analyzing and visualizing the center-of-mass (COM) motion of atoms across complex systems. SAMSON’s Pathlines…

For molecular modelers, stable and realistic molecular geometries are essential whether you are preparing simulations or performing interactive modeling tasks. One of the challenges in molecular design is efficiently optimizing molecular geometries to reach energy minima, particularly for large systems…

One of the critical challenges in molecular modeling is ensuring that your system is free from steric clashes and poor local geometries before further equilibration and simulations. This is where the Energy Minimization step becomes essential. In this blog post,…

When working with molecular modeling, one of the critical tasks is fine-tuning how molecular structures behave under force fields. Enter the Universal Force Field (UFF) in SAMSON, which provides tools for automatic molecular typization. But what if the default typization…

Molecular modeling is an intricate and crucial process for researchers, and having the right software platform is essential. Yet, the journey of setting up such tools can be daunting for many. This post simplifies the process of installing and starting…

For molecular modelers, losing work due to mistakes or being unable to reverse an action can be frustrating and time-consuming. This is where the power of SAMSON’s History feature comes into play. By understanding how to effectively use undo and…

Rendering molecular models for presentations, publications, or other projects often requires a realistic and visually engaging output. One of the critical aspects of achieving high-quality rendering lies in material control. Whether you want to have metallic surfaces, transparent glass-like textures,…