websdf

Django and RDKit based interactive web SDF viewer

TODO

• Select recalculate 2D coordinates
• Select recalculate 3D coordinates
• Select calculate descriptors (MW, logP, HBA, HBD, HAC, clogSw)
• Select&add 3D view (ChemDoodle)
• Show/hide columns
• Show/hide rows
• 404.html
• round numerical fields to 2 decimals
• Choose rendering (ChemDoodle canvas or png)
• Define image/canvas size
• Add license
• Document deployment
• Generate class names in python