Molecular modelers often spend a significant amount of time tweaking visual parameters to highlight structural features. Whether it’s for presentations, publications, or just better visual inspection, being able to identify and manipulate specific render presets becomes essential. In SAMSON, render…
When running molecular dynamics simulations using GROMACS, one of the most common sources of frustration for modelers is incorrect or inconsistent input structure paths. These mistakes can easily interrupt workflows—especially during the equilibration steps, where continuity of structure and parameters…
Finding reliable transition pathways between molecular conformations is a central task in computational chemistry and molecular modeling—whether for studying protein-ligand binding, enzymatic mechanisms, or conformational changes. The Nudged Elastic Band (NEB) method helps compute minimum energy paths (MEPs) between known…
When working with large protein complexes or viral capsids, understanding and leveraging their symmetry can significantly simplify your structural analysis and simulations. The Symmetry Detection extension in SAMSON automatically identifies possible symmetry groups in biological assemblies — but what happens…
