vismol

class vismol(**kwargs)

Class to visualize the molecules from SDF files

MolTo3DView(mol, size=(300, 300), style='sphere', surface=False, opacity=0.5)

Draw molecule in 3D

Args:

mol: rdMol, molecule to show size: tuple(int, int), canvas size style: str, type of drawing molecule ['line', 'stick', 'sphere', 'carton']

surface: bool, display SAS opacity: float, opacity of surface, range 0.0-1.0

Return:

viewer: py3Dmol.view, a class for constructing embedded 3Dmol.js views in ipython notebooks.

Parameters

fileslist of str, default=''

Filenames of SDF/PDB/XYZ to visualize conformers. If .sdf (or other strings that are not lists such as *.pdb) are specified, the program will look for all the SDF files in the working directory through glob.glob(.sdf). Internal options of "line", "stick", "sphere" incorporated. Code reference from: [https://iwatobipen.wordpress.com]