Understanding Compactness with Radius of Gyration Analysis

Molecular modelers often grapple with the need to monitor and understand the structural changes in their systems over time. Whether studying protein folding, polymer compaction, or other shape dynamics, one common pain point lies in effectively quantifying these transformations. The…

Streamlining System Preparation with GROMACS Wizard

Preparing molecular systems for simulations can often feel daunting, especially when working with complex coarse-grained models. For scientists utilizing the MARTINI force field, ensuring proper system setup for simulations in GROMACS is critical yet intricate work. This blog post focuses…

Building Custom Functionalities with SAMSON Extensions

For molecular modelers, one size rarely fits all. Whether it’s visualizing intricate molecular structures, running customized simulations, or crafting specialized computational tools, tailoring software to meet unique requirements can be challenging. This is where SAMSON comes into play with its…

Streamlining Node Selection with SAMSON’s Path Attributes

As a molecular modeler, pinpointing specific nodes within complex molecular structures is a vital but often time-consuming task. Understanding how to effectively use selection parameters can significantly ease this process. Fortunately, SAMSON’s Node Specification Language (NSL) offers powerful tools to…