Author: OneAngstrom

For molecular modelers venturing into the world of simulations, achieving a well-equilibrated molecular system can sometimes feel daunting. One common challenge is ensuring that the chosen parameters for NPT (constant Number of particles, Pressure, and Temperature) equilibration lead to stable…

Molecular modelers often encounter the challenge of keeping track of precise measurements such as distances, bond lengths, angles, and dihedrals within complex structures. If you’re working on large systems, you may find temporary measurements insufficient and overwhelming to manage. This…

For molecular modelers, effectively exploring variations of a molecule can be a time-consuming and intricate process. This is particularly crucial when considering substitutions to optimize interactions with a target or when preparing molecules for further analysis, such as docking. Fortunately,…

For molecular modelers, identifying and modifying properties at an atomic or structural level is a routine yet essential task. However, this seemingly simple process can quickly become a bottleneck without the right tools. SAMSON’s Inspector offers an efficient solution to…

As a molecular modeler, understanding the global shape of a molecular structure or the change in its shape along a trajectory is often crucial. This is where the Shape parameter analysis in SAMSON’s Path Analyzer can truly help. But how…

For molecular modelers, one of the most time-consuming tasks is setting up simulations for systems with multiple conformations or for processing multiple molecular systems with identical settings. Repeating the same configurations manually for every molecule or conformation can be tedious…

For molecular modelers working on proteins, analyzing backbone conformations is a critical step in understanding secondary structures, detecting outliers, and tracking conformational changes. However, visualizing this data in an intuitive way isn’t always straightforward. This is where the Ramachandran Plot…

As a molecular modeler, you might often need to create visually compelling presentations to explain complex molecular dynamics. One common challenge is finding an elegant way to showcase the progressive disappearance of specific atoms and the bonds between them. This…

As a molecular modeler, showcasing your molecular systems effectively often requires precise and dynamic camera movements. Achieving a smooth vertical motion can be tricky, especially if manual adjustments aren’t giving you the desired effect. This is where SAMSON’s Pedestal Camera…