Visualizing 3D Information

The recipes in this chapter illustrate how the Grapheme TK can be utilized to project complex 3D information into the 2D molecular graph.

Note

The interactive svg images generated by some of the examples below should be included into and HTML page with the SVG MIME type.

<object data="<imagename>.svg" type="image/svg+xml"></object>

• Visualizing Torsional Angle Distribution

• Visualizing Molecular Dipole Moment

• Visualizing Electron Density

• Visualizing Protein-Ligand B-factor

• Visualizing Protein-Ligand B-factor Map

• Visualizing Protein-Ligand B-factor Heat Map

• Visualizing Protein-Ligand Contacts

• Visualizing Protein-Ligand Unpaired Interactions

• Visualizing Protein-Ligand Interactions

• Visualizing Protein-Ligand Maps

• Visualizing Shape and Color Overlap new