Exporting Ligand Trajectories for Free Energy Calculations

One of the most common setup pains in molecular modeling arises when preparing atomic coordinates along a ligand’s exit or binding path. Whether you’re running free energy calculations, benchmarking enhanced sampling methods, or analyzing transition mechanisms, a clean and flexible…

Quickly Find Molecule Paths by Atom Count in SAMSON

When working with large molecular systems in SAMSON, it’s very common to work with conformation paths. Whether you’re navigating different states of a trajectory or trying to prepare a dataset for analysis, one common challenge is identifying only those paths…

Making Molecular Animations More Manageable with NSL Attributes

If you’ve ever worked on complex biomolecular systems in a dynamic context, you know that managing animations can be tedious. Whether you’re preparing a molecular movie or exploring simulation results, organizing and selecting the right animation elements matters. Fortunately, SAMSON’s…