vibesketch.chem

Chemistry services on RDKit: reading the canvas, conversion, properties.

Chemistry that produces a number or a file for a calculation runs here, on the server, where it is testable (roadmap, section 3, principle 3). The browser’s Indigo toolkit covers drawing only.

Modules

clean	Clean up a drawn structure: standard bond lengths and angles, the drawing kept.
embed	3D structures for drawn species: ETKDG, a force field, the stereochemistry kept.
layout	2D coordinates for molecules that have none, with every coordinate finite.
perceive	Molecules from 3D coordinates: bonds, bond orders, charges and radicals.
report	What the properties panel shows for each species of a document.
species	Identity and properties of one species, from an RDKit molecule.