Author: OneAngstrom

Many molecular modelers and computational scientists face the same recurring issue: needing administrator rights to install powerful simulation tools on their machines. Whether you’re using an institutional computer with limited access or a virtual machine setup, the need for admin…

As molecular modelers, we frequently compile complex projects involving not only molecular structures but also simulation scripts, datasets, papers, and custom tools. When it’s time to share our work with collaborators or transfer it to another machine, juggling all these…

Choosing the right color palette might seem like a small detail when setting up a molecular visualization, but it can make a significant difference—especially when working with large, complex systems or preparing visuals for publication. In SAMSON, the integrative molecular…

In molecular animation, it’s often important to draw attention to specific components at precise moments. Whether you’re presenting a complex assembly mechanism or highlighting a transient interaction, how you manage visibility can make the difference between clarity and confusion. This…

Running energy minimization jobs using GROMACS in SAMSON can be highly efficient, especially with the user-friendly interface of the GROMACS Wizard. But here’s a common challenge: how do you keep track of your jobs while continuing your work? Molecular modelers…

Presenting molecular structures in a compelling and understandable way can be challenging—especially when sharing models with others who may not be familiar with atomic-level geometry. While static visuals are useful, they often fail to convey spatial relationships and structural details…

In molecular modeling, clarity is key. Whether you’re preparing figures for publication, sharing interactive models, or simply analyzing a complex system, being able to label and annotate atoms, residues, or molecules is essential. However, many users of SAMSON—the integrative molecular…

If you’ve ever performed geometry optimization, you’ve likely faced the challenge of balancing speed and accuracy — especially when working with large structures or when your focus is on relaxing a system before a simulation. One of the lesser-known but…

Visualizing molecular structures clearly and distinctly is central to effective molecular modeling. Whether you’re representing different atom types, residues, domains, or simulation states, your ability to communicate data visually with accuracy and ease can make a significant difference. But here’s…