Intel Mac OS X
Administrative privileges are NOT needed to install the Intel Mac OS X binary distribution of Open3DALIGN.
As far as we know, Intel Macs should come with 64-bit CPUs (Core2, Xeon, Core i#) endowed with SSE3 instruction sets or better; however, just in case, 32-bit binaries and older instruction sets are supported as well. If you wish to determine the most appropriate version for your system, download
choose_version(a small utility based on Dave Jones'
x86info), open a terminal and type:
$ chmod +x choose_version
Then, download to your preferred location (e.g., your home directory) the
.bininstaller matching your system. Run the latter by issuing the following commands:
$ chmod +x your_open3dalign_version_setup.bin
open3dtoolsfolder you will find a
binfolder, which contains the
open3dalignexecutable, plus a few TINKER executables and libraries.
Instead, in the
open3dalignfolder you will find a
READMEfile, the license, the
ChangeLogand a copy of the documentation.
Open3DALIGN depends on OpenBabel for file format conversions and atom type assignment, and on Pharao for molecular alignment.
Unless you already have the latest version of
openbabel_for_open3dtoolsinstalled on your system, you will want to download also the
openbabel_for_open3dtools_macosx_setup.bininstaller which includes all necessary dependencies for Open3DALIGN, and install it in the same place where you previously installed Open3DALIGN. Should you at a later stage decide to download and install another tool of ours which has the same dependency from OpenBabel, such as Open3DGRID or Open3DQSAR, just install it in the same place where you previously installed Open3DALIGN and
openbabel_for_open3dtools, and everything will work out of the box as long as you keep the original arrangement of the directory tree.
open3dalignexecutables have been on built on Lion 10.7.1 with GCC 4.5 provided by the MacPorts team and linked with the BLAS and LAPACK libraries included in the Apple Accelerate Framework.