Writing Custom Molecular Scripts with SAMSON AI

One common pain point in molecular modeling is the need to automate repetitive or complex tasks—whether it’s transforming molecular structures, computing properties, or creating simple graphical interfaces for custom workflows. Writing Python scripts can make this process much easier, but…

Precise Atom Selection Using Mathematical Expressions in SAMSON

When working with molecular models, one recurring challenge is efficiently selecting specific atoms based on their positions or properties. Whether slicing a geometry, isolating substructures, or modifying subsets of atoms, manual atom selection is often tedious and error-prone—especially in larger…