OneAngstrom – Page 207

Quickly Align Protein Structures Based on Specific Residue Regions

When exploring protein function or designing ligands, it’s often essential to compare specific functional regions, rather than entire protein structures. This is especially true in structure-based drug discovery, homology modeling, and evolutionary studies, where conserved motifs might be hidden among…

Precise Bond Filtering in Molecular Models Using Bond Types

OneAngstrom

When working on large molecular systems, it’s often helpful to focus only on specific types of bonds—such as single, double, or aromatic bonds—especially when analyzing or modifying chemical structures. Whether you’re identifying functional groups or cleaning up imported models, being…

Selecting Cameras with Precision in SAMSON’s Node Specification Language

OneAngstrom

In complex molecular modeling projects, scenes often contain a variety of cameras—top views, side views, custom perspectives for presentations, or analytical views for simulations. Managing these cameras efficiently can become challenging as projects grow in size. The Node Specification Language…

A Simple Way to Align Molecular Structures in SAMSON

OneAngstrom

When working on multi-component molecular systems—such as protein-ligand complexes, nanostructures, or assembling ligand libraries—being able to precisely align and position structures is essential. But manual alignment can be both time-consuming and error-prone, especially when scaling operations or ensuring consistency across…

How to Spot and Fix Strained Protein Residues with an Interactive Ramachandran Plot

OneAngstrom

One of the recurring challenges in protein modeling is ensuring that your structure is biologically plausible before advancing to simulations. Even after refinement steps, it’s not uncommon to stumble upon strained residues — local backbone conformations that fall outside allowed…

Smart Importing of Molecular Dynamics Results: A Quick Guide

OneAngstrom

Running molecular dynamics (MD) simulations is only half the work—the other half is interpreting and importing your results correctly. Many molecular modelers face the recurring challenge of efficiently handling large MD simulation data, especially with regards to choosing what to…

Working Remotely? Make Your Molecular Models Shareable in Seconds

OneAngstrom

If you’re working in a collaborative environment or switching between devices, you’ve probably run into this issue: how to share and access molecular models across machines without losing files or struggling with mismatched folders. In molecular modeling, that friction can…

Tidying Up Molecular Models: Aligning Structures in SAMSON Without the Guesswork

OneAngstrom

When working with complex molecular systems, especially when comparing molecular structures, preparing input for simulations, or visualizing assemblies, it’s important to have your structures neatly positioned and consistently oriented. Yet too often, molecular modelers find themselves manually adjusting atoms and…

Effortlessly Dock Molecules with Animator Keyframes in SAMSON

OneAngstrom

If you’ve ever spent too long trying to create a smooth molecular docking animation—manually adjusting atomic positions or writing complex scripts—you’re not alone. Visualizing docking movements between molecules or between a ligand and a receptor can be time-consuming, especially when…

How to Quickly Filter Backbone Groups in SAMSON Using NSL

OneAngstrom

When working with complex molecular systems, identifying and manipulating specific backbone groups can quickly become overwhelming—especially in large biomolecular assemblies. If you’ve ever found yourself scrolling endlessly or zooming in and out to locate backbone components with a certain charge,…