Administrative privileges are NOT needed to install the Linux binary distribution of Open3DALIGN.
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, move to the folder where you downloaded
$ chmod +x choose_version
Then, download to your preferred location 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 containing the
open3dalign.shwrapper script, which calls the
open3dalignexecutable after properly setting the
LD_LIBRARY_PATH, plus a few TINKER executables and libraries.
In fact, the
open3dalignexecutable has been built with Oracle Solaris Studio Compiler for Linux version 12 update 3 and linked with the Sun Performance Library. The Linux distribution of this compiler does not allow for full static linking of libraries, so the
LD_LIBRARY_PATHhas to be properly set in order for the OS to find the dynamic link library needed by Open3DALIGN, namely
libmtsk.so.1. If you invoke Open3DALIGN using the wrapper script
open3dalign.shincluded in the
LD_LIBRARY_PATHwill be automatically set for you.
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_linux_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.