OEToolkits 2012.Oct

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

OEChem TK

1.9.0

OEDepict TK

2.0.4

OEDocking TK

1.1.3

Grapheme TK

1.0.4

GraphSim TK

2.0.3

Grid TK

1.4.1

Lexichem TK

2.2.0

MolProp TK

2.1.4

Omega TK

2.5.0

Quacpac TK

1.6.0

Shape TK

1.8.3

Spicoli TK

1.1.3

Szybki TK

1.7.2

Zap TK

2.1.4

• C++ examples build system changed to CMake for all supported platforms: Linux, Windows, and OSX. The old system was Makefiles for the Unix systems and Visual Studio Solution files for Windows. CMake allows for the generation of these platform specific build systems from a centralized text file (CMakeLists.txt). The CMake command to generate the platform specific build system is shipped as the configure or configure.bat script for Unix or Windows systems respectively.

  The following is the new Quick Start guide for Unix systems:

  1. Un-tar the toolkits distribution

  2. > cd openeye/toolkits/examples

  3. > ./configure

  4. > make

  Built executables are placed in the openeye/toolkits/examples/bin directory.

  The following is the new Quick Start guide for Windows:

  1. Un-zip the toolkits distribution

  2. > cd OpenEye-toolkits-2012.Oct.x-VSxxxx-xxx-xx/examples

  3. > configure.bat

  4. Open up the OpenEye-toolkits solution file that was generated

  5. Hit the F7 key to build the entire solution

  Built executables are placed in the OpenEye-toolkits-2012.Oct.x-VSxxxx-xxx-xx/examples/bin/Release directory.

• *GetSite and *GetLicensee free functions exposed by each toolkit now directly return a string to be more usable in all wrapped languages.