Open3DALIGN exists as 32-bit/64-bit pre-built binary distributions for the following platforms:
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_open3dtoolsfor your OS (if you have not done it yet)
- download and run
choose_versionto discover the version of Open3DALIGN which suits best your system (32/64-bit, SSE2/SSE3)
- download and install the Open3DALIGN version suggested by
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_open3dtoolsand 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
env pymolkeywords in your Open3DALIGN script.
To make a long story short: just run the
openbabel_for_open3dtoolsinstaller, 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.