SCIGRESS 2.4 (3.1) - release notes:
  • Implemented quantum semiempirical docking: both local and on server. Can check partial results. Can detach client from calculations being performed on server. Can check status of detached calculations, re-attach and download results.
  • Implemented “Create Docking Spreadsheet” wizard.
  • Implemented conformer generation with LocalSCF, implemented selection of unique conformers.
  • Conformer generation merged into “Create Docking Object”.
  • Server-side Phase calculations can be easily parallelized directly from SCIGRESS client.
  • Selection of cells to be evaluated extends automatically when additional samples are created during evaluation.
  • Return output files of failed experiments.
  • Added option to specify a non-default name of a document being created in a wizard.
  • Added new versions of bioexercises consistent with updated Teaching with SCIGRESS e-book.
  • Desktop version for Linux (Ubuntu, OpenSUSE, Debian, Centos) 32&64 bit, KDE and GNOME released as public BETA.