SiteHopper 1.0.0

July 2021

This is first release of the SiteHopper application suite. SiteHopper can search a database containing hundreds of thousands of design units for proteins with similar binding sites to a query design unit in a few minutes using an NVIDIA GPU. SiteHopper can also create this database from a series of biomolecular structures in OEDU format. The SiteHopper application suite consists of the following applications:

  • sitehopper_build generates a database of patches from design units to be searched with sitehopper_search.

  • sitehopper_search searches a database of design units for proteins with binding sites similar to a query design unit.

  • A large database of patches based on the public is available for download in a platform-independent format.

FastROCS TK 2.2.0

July 2021

New features

  • A new method, OEShapeDatabaseScore.ExtractTransform, that extracts an entire transform (not just the post inertial frame transformation) has been added.

Minor bug fixes

  • An issue with custom weights in FastROCS custom color has been fixed.