OEToolkits 2011.1ΒΆ

This is a new release of the OpenEye Toolkits with versions of the following libraries:

OEChem TK:1.7.5
OEDepict TK:2.0.0
OEDocking TK:1.1.0
Grapheme TK:1.0.0
GraphSim TK:2.0.0
Grid TK:1.3.5
Lexichem TK:2.1.0
MolProp TK:2.1.2
Omega TK:2.4.4
Quacpac TK:1.5.0
Shape TK:1.8.1
Spicoli TK:1.1.1
Szybki TK:1.6.0
Zap TK:2.1.2
  • C# support added across all the toolkits. See the C# Quick Start guide to get started using this new language binding.
  • Renaming Ogham TK to OEDepict TK. OEDepict TK 2.0 is a major redesign of this core rendering library to enable new technology advances in 2D molecular communication.

Warning

The Ogham TK 1.x API is deprecated. The API is still available in OEDepict TK 2.0, but will be removed in a future release.

  • Introducing a major new library, Grapheme TK, based upon OEDepict TK 2.0.

  • Changing OEToolkits package version to no longer track the version of OEChem inside the package. The version number will now be structured as the following:

    [year].[release].[build]

    year:is the year the package was released
    release:is a sequentially increasing number marking the release within the year
    build:is an arbitrary number used for internally tracking the exact state of the package
  • Changed the default visibility of symbols in OpenEye libraries to be hidden. This can drastically lower the number of symbols exported from a given library improving compile times and shared library load time.

  • When building with Microsoft Visual Studio, the OpenEye header files will enforce that you are building with the correct version of the compiler.

  • The Java toolkits now ship as a single JAR file to ease use. Note, if a smaller JAR file is desired a custom JAR file can be created for only a subset of toolkits that can also work across platforms. See the new Java Quick Start guide for more information.

  • Note that there are two sets of distributions for Linux. For the most part, if you are using a newer version of Linux (RHEL 5, RHEL 6, SLE 11 and Ubuntu 10.04 LTS), the regular distributions marked “Linux-x64” and “Linux-x86” are what you want. These are built with a newer version of GCC and provided a noticeable increase in performance over previous releases.

    But, for RHEL 4 and SLED 10, these new releases are not compatible. For these two older Linux platforms, we’ve provided a pair of downloads labeled “Linux-x64-compat” and “Linux-x86-compat”. Note that these “compat” releases will work on all the supported Linux platforms, albeit with a noticeable decrease in performance.