A Simpler Way to Optimize Molecular Geometries in SAMSON

When modeling complex molecular systems, geometry optimization is often the first step before moving on to property predictions, docking studies, or simulations. But what if you could optimize your molecules while interacting with them—dragging atoms and watching the structure adapt…

Locking Atoms in Place During Molecular Animations

When working on molecular animations, it’s common to encounter a challenge: how do you isolate the motion of certain atoms or groups while keeping others perfectly still? Whether you’re preparing a presentation to highlight a binding site mechanism or illustrating…

Messed Up Your Molecular Model? Here’s How to Safely Step Back

Molecular modeling workflows often involve numerous delicate operations—adding atoms, adjusting geometries, rerunning simulations, and more. But what happens when one step goes wrong or you accidentally overwrite something important? The frustration of not being able to revert to the previous…