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SeeSAR updated


BioSolveIT have announced an update to SeeSAR

This is more or less a "silent release" that includes numerous improvements to SeeSAR behind the scenes and also two new features for the user. Perhaps you won't notice most of these changes but in case you have stumbled on these things in the past, here are a few examples: We optimized the internal database so that molecules can be moved much more quickly from one data table to another, we fixed a small bug in the ReCore engine, clashes and torsions are calculated automatically together with HYDE and torsion labels are now also available for bonds in new fragments generated in the inspirator. PDB export You may now select any pose in any of the data tables and export it together with the binding-site protein as a complex in PDB format. This feature is a bonus for users who wish to post-process results in MD packages that expect this particular input format. extended licenses Since version 9, the new FlexX is integrated into SeeSAR as the Docking mode and can be used with the SeeSAR license. Since version 9.1, the docking calculation set-up can be exported from SeeSAR for separate processing in the commandline version of FlexX, e.g. on a cluster, which until now required a separate license. Your SeeSAR license is now valid for both the GUI as well as bulk docking using the commandline version of FlexX.

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