Author: OneAngstrom

For molecular modelers, creating custom polymers using specific chemical compositions can often feel like a daunting task. In particular, managing monomer units, ensuring proper connections, and avoiding structural clashes tend to be challenging aspects of the workflow. SAMSON’s Polymer Builder…

For molecular modelers and researchers, automating routine tasks or creating precise, customized workflows can be critical for efficiency and creativity. But scripting these processes can often feel daunting, requiring domain knowledge and time. What if your molecular design platform could…

Molecular modeling often requires workflows that go beyond the functionality available in a default software installation. Researchers and modelers are consistently looking for tools that can facilitate more complex simulations, enhance visualizations, or provide domain-specific solutions. If you find yourself…

Molecular modeling often involves dealing with a multitude of tools and features to design, analyze, and simulate molecular systems. For many molecular modelers, the challenge lies in having flexibility while keeping workflows streamlined. This is where SAMSON Extensions come into…

Molecular modelers often face the challenge of refining specific molecules or molecular regions within large and complex systems. Minimizing an entire system when you only want to optimize one molecule or part of a molecule can be both time-consuming and…

For molecular modelers, identifying precise components in complex molecular systems can be an intricate task. Researchers often need granular control when narrowing down their selections, whether it’s finding residues, filtering specific atoms, or identifying bonds of interest. Fortunately, SAMSON’s Node…

Atom selection is at the heart of molecular modeling, enabling users to focus on specific aspects of their structures. However, the process of selecting atoms based on complex mathematical conditions can sometimes feel daunting. Fortunately, SAMSON’s Atoms Selector Extension provides…

Molecular modelers often encounter the challenge of preparing a clean, simulation-ready structure while deciding what to retain and what to remove. One common pain point is dealing with water molecules in Protein Data Bank (PDB) structures. While some water molecules…

Colorizing molecular models is a critical step in molecular design workflows. It not only makes models visually engaging but also aids significantly in data interpretation. SAMSON, the integrative molecular design platform, offers rich tools to colorize structural nodes, visual models,…