How to Share Molecular Workflows as Executable Files in SAMSON

Sharing a molecular model with collaborators often comes with a familiar headache: supplementary scripts are in a separate folder, dependent files are missing, and paths break across systems. As molecular modelers, we frequently juggle multiple files—models, data, Python scripts, results—and…

Easily Create Custom GROMACS Index Groups in SAMSON

Managing index groups is a regular task for anyone working with molecular dynamics in GROMACS. If you’ve ever had to manually modify an index.ndx file just to track specific atoms or residues across simulations, you know how time-consuming and error-prone…

Making Molecules Appear Just When You Need Them

When presenting molecular models, clarity is everything. Whether you are communicating with collaborators, students, or writing a publication, the timing and visibility of different components in a scene can dramatically affect understanding. That’s where the “Shown” animation effect from the…