23 OCT 2025 - We are back! If you have been following us over the last few years, you will know that the last 2 months have been rough. We website was practically not loading. Sorry for the mess. We are back though and everything should run smoothly now. New servers. Updated domains. And new owners. We invite you all to start uploading torrents again!
OpenBabelGUI is an open, collaborative project allowing anyone to convert, analyze, search or store datafrom molecular modeling, chemistry, biochemistry, or related areas.What's new in OpenBabelGUI : New support for 3D coordinate generation using the OBBuilder class.Note that this code directly supports non-chiral compoundsStereochemistry may or may not be supported in this releaseSignificantly faster force fields (up to 200x faster) and support for constrained optimization.New force fields, including complete UFF, MMFF94, and MMFF94s implementations.Monte Carlo conformer search support, including a new obconformer tool.Unified framework for plugin classes, including easy-to program file formats, descriptors, filters, force fields, fingerprints, etc.A new "descriptor" plugin framework for QSAR descriptors, etc.Initial descriptors include hydrogen-bond donors, acceptors, octanol/water partition, topological polar surface area, molar refractivity, molecular weight, InChI, SMARTS, titles, Lipinski Rule of Five, etc.A new "filter" plugin framework for selecting molecules by title, molecular weight, etc.Facility to add new "ops", commandline options or operations o...
