• The SCIGRESS development team is pleased to announce the release of SCIGRESS 3.2.
     
    New features:
    * Automated QSAR analysis (Enhanced Replacement Method and Genetic Algorithm).
    * LAMMPS interface for all supported platforms.
    * Transparent handling of calculations on cloud and grid computing systems (currently PL-Grid, more coming).
    * Protein cleaning (missing atoms, residues, loops) function.
    * GAMESS support on Mac OS X.
    * Batch procedures for SCIGRESS calculations.
    * Fastdock code optimization (Grid pre-calculation).
    * Fastdock default genetic algorithm parameters optimization.
    * NMR spectra from DGauss calculations.
    * Windows 10 support.
    * Various bug fixes.
     
    For more information please visit:
    http://www.fqs.pl/SCIGRESS/release_notes.
     
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