- 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.
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