C-Graphs version 2

This release includes additional analysis options for the H-bond of static protein structures and extend the user interface with a "Plot settings" tab to improve graph visualization.

The added features include:

• Node color-coding by properties: A new “Color nodes by” option in the Crystal structure analysis tab allows graph nodes to be colored by pKa values, B-factors, or other user-defined attributes.
• New Plot settings tab: Users can customize node size, edge size and thickness, label size and color, image resolution, and output format for saved plots.
• Improved handling of large proteins: The interface now allows users to specify a subset of H-bonding groups of interest, enabling clearer visualization of H-bond graphs for large systems.
• H-bond distance annotation: For static structures, H-bond distances (in Å) can be displayed directly on graph edges. Distances are computed atomwise using MDAnalysis, mapped onto residue-level graphs, and averaged when multiple H-bonds exist between two residues.