Author: OneAngstrom

As molecular modelers, we understand the significance of a workspace that adapts to long hours, especially during those late-night modeling sessions. A common concern is screen fatigue caused by bright user interfaces—a discomfort that affects both focus and comfort. If…

Molecular modelers often face a common challenge: how to maintain focus on specific parts of a molecular system while animating trajectories or other molecular motions. Whether you are visualizing interactions in a complex protein structure or watching the trajectory of…

Installing SAMSON, the integrative molecular design platform, can be straightforward, but things might get slightly tricky if you’re on a network that uses a proxy. This blog post clarifies what to do if your network requires proxy parameters during the…

Modern molecular modeling often involves repetitive tasks or complex analyses that could benefit from customization and automation. For many researchers, scripting can be intimidating. Yet, SAMSON AI makes this accessible with its /script command to generate Python scripts. By leveraging…

For molecular modelers, ensuring a system reaches stable conditions during simulations is a critical step. The challenge lies in achieving the right density and pressure equilibrium before moving on to production molecular dynamics. NPT Equilibration, which operates under constant Number…

Ever Struggled with Making Reversible Changes in Molecular Models? When working on a complex molecular modeling project, we often find ourselves wishing we could rewind time for a specific step or tweak changes seamlessly. Whether you’re editing structures, building molecules,…

For molecular modelers, efficiently managing and visualizing complex biomolecular structures can sometimes be a true challenge. Selecting specific residues or chains, visualizing their properties, and ensuring synchronization across different views of your molecular modeling tools often requires cumbersome and fragmented…

Molecular modeling often involves repetitive tasks, such as preparing and running simulations for multiple systems or conformations. Manually performing these actions across numerous datasets can be tedious and prone to errors. Fortunately, the GROMACS Wizard in SAMSON has a built-in…