Making Molecules Appear When You Want Them To

Controlling the visibility of elements in molecular animations can be frustrating. You might want some parts of your model to appear at specific times without gradually fading in or tweaking transparency. This is especially important in presentations or educational videos…

A Quick Way to Minimize Entire NMR Ensembles at Once in SAMSON

Working with NMR-derived molecular structures often means managing ensembles of conformations. But what if you need to quickly energy-minimize all conformations in one go—without messing with topology files or writing scripts? The Molecular Restrainer extension in SAMSON provides a fast…

Freezing Atoms to Minimize Only What Matters

Interactive molecular minimization in SAMSON is convenient and fast, but what if you’re only interested in minimizing part of a molecule—say, just a few atoms or a flexible side chain—without altering the rest of the structure? When setting up a…