Windows


Administrative privileges are NOT needed to install the Windows binary distribution of Open3DGRID.

If you wish to determine the most appropriate version for your system, download choose_version (a small utility based on Dave Jones' x86info) and double-click it.

Then, download and run the setup.exe installer matching your system. Choose the location where you wish to install the open3dtools folder; inside, you will find a bin folder, which contains the open3dgrid.exe executable.
Instead, in the open3dgrid folder you will find a README file, the license, the ChangeLog, documentation, some examples and utilities.

Open3DGRID depends on OpenBabel for file format conversions and atom type assignment.

Unless you already have the latest version of openbabel_for_open3dtools installed on your system, you will want to download also the openbabel_for_open3dtools_windows_setup.exe installer which includes all necessary dependencies for Open3DGRID, and install it in the same place where you previously installed Open3DGRID. Should you at a later stage decide to download and install another tool of ours which has the same dependency from OpenBabel, such as Open3DALIGN or Open3DQSAR, just install it in the same folder where you previously installed Open3DGRID and openbabel_for_open3dtools, and everything will work out of the box as long as you keep the original arrangement of the directory tree.

The open3dgrid.exe executables have been built with MinGW GCC 4.5 for Windows (32/64-bit versions provided by the MinGW-w64 project) and linked with the ATLAS and LAPACK libraries; the latter have been cross-built with MinGW GCC 4.5 under Cygwin.

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Last update:
May 31. 2015 20:39:48

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Would you like to align your
dataset? Try Open3DALIGN
Wish to compute a 3D-QSAR
model? Try Open3DQSAR