vibesketch.chem.layout

2D coordinates for molecules that have none, with every coordinate finite.

Functions

compute_2d(mol)

Give mol a 2D conformer in place.

vibesketch.chem.layout.compute_2d(mol)

Give mol a 2D conformer in place.

CoordGen first (it lays out rings and macrocycles better), then RDKit’s own depictor, because CoordGen returns NaN for a molecule made only of hydrogen atoms (H+, H2). If both fail, the atoms go on a line. The process-wide CoordGen preference is restored afterwards.

Parameters:

mol (Any)

Return type:

None