• Warren DeLano and the future of PyMOL

    This blog is old and new news. The old news is that Warren passed away at the end of last year, after having successfully shown how OpenSource cheminformatics (and/or bioinformatics) software can be developed in a commercial setting (DeLano Scientific), and PyMol was a huge success. Warren had a SourceForge account (wdelano) for almost 10 years:
  • Very cold in Uppsala!

     
  • BlueObelisk StackExchange: summary of the first month

    The Blue Obelisk StackExchange (BOx) has seen a relatively good start, but the number of questions is dropping. The average number of unique visits is about 23-30 now:
  • December wrap up. X-mas holidays at last!

    Wow, I just saw it has been 17 days since my last post already :( That’s a new record, I think! A lot has happened actually, but I have not had time to write up things. Actually, I have still have SWAT4LS coverage left to do :(
  • CDK 1.3.1: the changes

    Two weeks ago, I released CDK 1.2.4. Anay reported fails with generating the JavaDoc from the packages, which I think I both fixed now; the uploaded 1.2.4.1 packages on SourceForge include these fixes.
  • SWAT4LS: wrapping up #1

    It’s already been five days since the SWAT4LS meeting (matching blog), and finally got around to writing up my personal summary. I very much enjoyed the Blue Obelisk dinner on Thursday evening with Nico, Duncan, and Miguel (the CDK one).
  • SWAT4LS: "Linking Open Drug Data to Cheminformatics and Proteochemometrics"

    Please find below the presentation I gave today at SWAT4LS :