Author: OneAngstrom

If you’re working in materials science, computational chemistry, or crystallography, you’ve probably run into the challenge of understanding how atomic defects influence crystal properties. Whether you’re studying mechanical strength, thermal conductivity, or electronic behavior, point defects—like vacancies or substitutional impurities—can…

Working on complex molecular systems often means managing numerous components: multiple protein structures, ligands, solvents, ions, and various annotations or scripts. This complexity can quickly become overwhelming, especially when switching between tasks or sharing projects across teams. This is where…

One of the most common issues in molecular modeling workflows involving GROMACS is encountering errors at the start of the production molecular dynamics (MD) simulation. These errors often stem from incorrect or incompatible input files — a pain point many…

One common roadblock that molecular modelers face is figuring out the value of software extensions before committing to a purchase. You may have found yourself wondering whether a particular tool in the SAMSON ecosystem will be useful for your modeling…

When working with molecular systems, precision and efficiency are key. Whether you’re preparing a structure for simulation, cleaning up a molecular model, or editing multiple atoms after selection, being able to quickly inspect and modify properties is a recurrent challenge…

In collaborative research environments, showcasing who you are and what you’re working on has become more than just a convenience — it’s a necessity. For molecular modelers using SAMSON Connect, the new public profiles offer more than just a digital…

Editing molecular structures interactively is often a challenge. A small change can provoke a cascade of inconsistencies, especially when bond orders, atom types or valence states must remain chemically realistic. What if your simulation tool helped you maintain chemical plausibility…