Speeding up Nanotube Design with Pattern Editors in SAMSON

For molecular modelers working on nanostructures, building carbon nanotubes and similar architectures atom by atom is time-consuming and error-prone. Small misalignments between atoms can create structurally incoherent models and increase the time required for cleanup and minimization. If your work…

Quickly Filter Molecular Side Chains by Atom Type in SAMSON

When dealing with large biomolecular models, pinpointing specific side chains with certain atomic compositions can be tedious and time-consuming. SAMSON’s Node Specification Language (NSL) provides a concise way to filter and select these molecular entities efficiently. Whether you’re preparing systems…

Why Protein Cleanup Matters Before Structural Interpolation

When preparing protein structures for simulations or visual interpolations, one common and often overlooked step is structure cleanup. This becomes a critical issue when working with tools like the As-Rigid-As-Possible (ARAP) Interpolator in SAMSON. If you attempt an interpolation with…

Python Scripting in SAMSON: Automate, Simulate, Repeat

For molecular modelers who spend long hours clicking through visualization and simulation pipelines, interacting with complex systems through a GUI can be both repetitive and limiting. Wouldn’t it be better if you could automate your process, access advanced analytics, or…