As a molecular modeler, have you ever needed to observe specific atoms in motion without losing track of them during an animation? This can be a challenge when analyzing a system where atoms may move across intricate trajectories. Fortunately, SAMSON…

Molecular modelers often face the challenge of effectively presenting their models from varying perspectives for better analysis, understanding, and communication. One frequent need is to move the camera view smoothly in a horizontal direction to focus on specific molecular areas…

For molecular modelers leveraging GROMACS for simulations, the ability to customize installations and performance settings can be a game-changer. If the default GROMACS setup in SAMSON’s GROMACS Wizard isn’t aligned with your requirements, switching to a custom version can help…

For molecular modelers, efficiently visualizing complex molecular systems is often a challenge. Representing systems in insightful ways, highlighting meaningful portions, and managing color schemes can consume valuable time. But what if there was a way to achieve all of this…

Exploring ligand unbinding pathways from a protein can often be a complex and time-consuming task for molecular modelers. Understanding these pathways is crucial for drug discovery and protein interaction studies. The Ligand Path Finder app in the SAMSON platform offers…

Molecular modeling often requires preparing input files for advanced analyses or simulation workflows, such as reaction coordinate studies or free energy calculations. Extracting atom trajectories along specific paths can be a tedious and error-prone process if done manually. Luckily, the…

Molecular modelers often encounter a recurring issue: how to effectively neutralize a system when preparing molecular simulations. System neutrality is crucial since unbalanced charges can disrupt molecular dynamics simulations or lead to incorrect results. Fortunately, the GROMACS Wizard in SAMSON…