Release Highlights 2019.May

Windows Installer

The installer for Windows has been upgraded to a standard Windows MSI installer. This allows administrators to perform silent installation by executing the installer with the /quiet argument.

OEZ Compressed File Format

A new compressed file format, OEZ, has been introduced in OEChem TK. This format uses the zstd algorithm to efficiently compress individual multi-conformer molecules, making it well-suited to work with OEMolDatabase for fast read-only random access to molecules. Users can now use OEZ as the output format for OMEGA and as the input format for ROCS. For more details, see the Compressed Input and Output section of the OEChem TK documentation.

Note

This new file format is not backwards compatible. OpenEye applications and toolkits released before April 2019 will not be able to read or write this file format.

General Notices

  • MPI support for the applications on Linux and macOS is now based on Open MPI version 4.0.0.
  • GUI applications in the OpenEye applications bundle — vROCS, vBROOD, MakeReceptor, and pKa-Prospector — are not available on RHEL6. The RHEL6 package only includes command line tools.
  • All applications were ported to build using OEToolkits 2019.Apr. The previous versions were buiult using OEToolkits 2018.Oct.
  • An issue that caused applications to hang when launched in multi-node openMPI in some cluster configurations has been fixed.

Platform Support

  • This is the last release to support RHEL6
  • This is the last release to support Windows 7
  • Ubuntu 14 is no longer supported
  • macOS 10.11 and 10.12 are no longer supported