Making Atom Measurements Effective in SAMSON
If you’re a molecular modeler, precise measurements between atoms, bonds, angles, or dihedrals can be essential to your workflow. Measurements are often the foundation for understanding interactions, conformations, and geometrical properties of molecular systems. But keeping those measurements organized—and ensuring…
A Quick Guide to Selecting Molecular Models Based on Structural Properties
For molecular modelers, selecting the right molecular structure from a complex dataset can be a daunting task. Whether you’re working on macromolecular modeling, chemical compound variability, or material simulation, narrowing down your selection based on key structural properties can significantly…
Simplify Ligand Library Docking and Analysis in Molecular Modeling
Streamlining Molecular Dynamics with Batch Preparation in GROMACS Wizard
Quickly Find Relevant Data with the Inspector’s Attribute Filter
Simplify Molecular Modeling with SAMSON’s Bond Attributes
For molecular modelers, understanding and utilizing precise bond attributes is crucial for building and analyzing molecular structures effectively. Without powerful tools to work with such attributes, this task can become tedious and error-prone. Fortunately, SAMSON’s Node Specification Language (NSL) provides…
Understanding and Leveraging the formalCharge Attribute in Molecular Modeling
For molecular modelers, managing and understanding molecular charges is a common and critical task. Whether you’re evaluating the stability of structures, modeling interactions, or preparing data for simulations, having control over charge-related attributes is essential. This is where the formalCharge…






