Author: OneAngstrom

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,…

One of the common challenges molecular modelers face is efficiently exploring how small changes in a molecule can affect its properties or interactions with a target. SAMSON’s Positional Analogue Scanning feature in the SMILES Manager offers an elegant solution for…

Molecular modelers often face the tedious task of configuring repetitive workflows for multiple molecular systems or conformations. Whether it’s optimizing several protein structures or running simulations on different conformations of a molecule, the manual setup can consume precious time and…