Want to help Open Babel and get paid this summer, being mentored by our dev team? We are happy to be part of #GSoC2022 (Google Summer of Code by @GoogleOSS) through @OpenChem - please take a look at our projects and get in touch!
Would anyone have an old Tripos user manual, or otherwise a complete list of SYBYL atom types lying around? Having this publically available would help @mdanalysis and others make a more robust mol2 writer format. @davidlmobley#compchem
Happy to announce the release of Open Babel 3.0!
This is a major update, including many significant new features, tossing some old deprecated code.
Thanks to many, especially @baoilleach for pushing this release.