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Version 1.1

posted Feb 21, 2011, 6:25 AM by Victor Ruehle
After 4.5 months of hard work we finally finished VOTCA 1.1, due the overwhelming amount of new features we could have numbered it 1.5, but instead we just named the release 'SuperAnn'.

A detailed list of changes can be found here:

but we would like to point out the following new features:
  • parallel analysis using threads, some tools have a '--nt' option
    (e.g. fast parallel rdf calculation using grid search)
  • new spline types in csg_resample (akima, linear)
  • csg_inverse has about 25 new xml options (post-processing , run control, ...)
  • boundary treatment is done internally, no need to run trjconv anymore
Due to a lack of developers we will NOT fix any bugs in VOTCA 1.0.X anymore, so we encourage everyone to update or at least to not bug us with bugs in the old version anymore ;-)

At this point we want to acknowledge Jussi Lehtola from the Fedora project and Klaus Kaempf from Suse for preparing binary packages for Fedora and OpenSuse.