tooluniverse.tools.visualize_molecule_3d module

visualize_molecule_3d

Visualize 3D molecular structures using RDKit and py3Dmol. Supports SMILES, MOL files, SDF conten…

tooluniverse.tools.visualize_molecule_3d.visualize_molecule_3d(smiles, mol_content, sdf_content, style='stick', color_scheme='default', width=800, height=600, show_hydrogens=True, show_surface=False, generate_conformers=True, conformer_count=1, *, stream_callback=None, use_cache=False, validate=True)[source]

Visualize 3D molecular structures using RDKit and py3Dmol. Supports SMILES, MOL files, SDF conten…

Parameters:

  • smiles (str) – SMILES string representation of the molecule

  • mol_content (str) – MOL file content as string

  • sdf_content (str) – SDF file content as string

  • style (str) – Visualization style

  • color_scheme (str) – Color scheme for the molecule

  • width (int) – Width of the visualization in pixels

  • height (int) – Height of the visualization in pixels

  • show_hydrogens (bool) – Whether to show hydrogen atoms

  • show_surface (bool) – Whether to show molecular surface

  • generate_conformers (bool) – Whether to generate multiple conformers

  • conformer_count (int) – Number of conformers to generate

  • stream_callback (Callable, optional) – Callback for streaming output

  • use_cache (bool, default False) – Enable caching

  • validate (bool, default True) – Validate parameters

Return type:

dict[str, Any]