文章
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: