Install from source

Building Open3DQSAR is very straightforward. Open3DQSAR can be built without effort on virtually any platform which supports GNU Autotools (i.e., Autoconf and Automake). Interestingly, a native Windows executable which does not depend on any third party DLLs can be obtained using only MinGW and MSYS.

Open3DQSAR depends on BLAS and LAPACK math libraries, which exist under both open-source and vendor implementations. A very efficient, freely available implementation is the ATLAS library, which can be easily built for all platforms; building and installation of this library are described in great detail in the ATLAS website. Alternatively, an excellent vendor implementation is the one included in the Sun Studio compiler suite, which is available to Linux and Solaris users for free. Another BLAS/LAPACK implementation is the one provided by the Intel Math Kernel Library, which is available at no cost for Linux non-commercial developers, while a license has to be purchased for Windows and Mac OS X versions.

Open3DQSAR has been successfully built on the following platforms:

Each hyperlink points to detailed compilation/installation instructions for the different operating systems.

Please note that Open3DQSAR depends on OpenBabel
The latest CVS OpenBabel version can be downloaded from the OpenBabel website. and installed as per the OpenBabel website instructions. Alternatively, you may download the openbabel_for_open3dtools self-installing package for your OS from the binary downloads page.

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Last update:
May 31. 2015 20:39:42

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