Install distribution

Open3DALIGN exists as 32-bit/64-bit pre-built binary distributions for the following platforms:

  Windows

  Linux

  Intel Mac OS X

  Solaris x86

  FreeBSD

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

Open3DALIGN pre-built binary distributions are provided with all the required dependencies, as explained in the OS-specific instructions. Briefly:

• download and install openbabel_for_open3dtools for your OS (if you have not done it yet)

• download and run choose_version to discover the version of Open3DALIGN which suits best your system (32/64-bit, SSE2/SSE3)

• download and install the Open3DALIGN version suggested by choose_version

• run bin/open3dalign: everything should work and the program should report if and where it has found OpenBabel, Pharao, TINKER and PyMOL binaries

This is enough for most users. Only if you, for some reason, do not want to use the copies of OpenBabel, Pharao and TINKER shipped with openbabel_for_open3dtools and Open3DALIGN (e.g., because you have your own modified versions), you may define a few environment variables:

• O3_BABEL_PATH: point it to the folder containing OpenBabel binaries

• O3_PHARAO: point it to the Pharao executable

• O3_TINKER_PATH: point it to the folder containing TINKER binaries

• O3_PYMOL: point it to the PyMOL executable

Alternatively, you may also use the env babel_path, env pharao, env tinker_path and env pymol keywords in your Open3DALIGN script.
To make a long story short: just run the openbabel_for_open3dtools installer, run the Open3DALIGN installer, keep the directory tree as it is and run bin/open3dalign: everything should work and the program should report if and where it has found OpenBabel, Pharao, TINKER and PyMOL binaries. If something is not found, point the relevant environment variables to the appropriate locations.