fragmenstein.branding submodule

Module contents

This simply contains the function display_mols which is used to display molecules with indicies, and _color property if present in atoms. And the class MolNGLWidget wich adds a few extra methods to NGLWidget

fragmenstein.display.color_in(mols: List[Mol], color_scale=None, skip_feija=False)

assigns a color property to a mol based on color_scales of correct length

In the divergent_colors first colour is the Fragmenstein colour (feijoa). Setting color_in(False) will skip it, allowing it to be used later on.

fragmenstein.display.display_mols(mols: Sequence[Mol], molsPerRow=5, subImgSize=(150, 150), useSVG=True)

Generic wrapper for calling display(Draw.MolsToGridImage)