Administrative privileges are NOT needed to install the Linux binary distribution of Open3DQSAR.
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 the
.bininstaller matching your system. Run the latter by issuing the following commands:
$ chmod +x your_open3dqsar_version_setup.bin
open3dtoolsfolder you will find a
binfolder containing the
open3dqsar.shwrapper script, which calls the
open3dqsarexecutable after properly setting the
LD_LIBRARY_PATH. In fact, the
open3dqsarexecutable 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 Open3DQSAR, namely
libmtsk.so.1. If you invoke Open3DQSAR using the wrapper script
open3dqsar.shincluded in the
LD_LIBRARY_PATHwill be automatically set for you.
Instead, in the
open3dqsarfolder you will find a
READMEfile, the license, the
ChangeLog, documentation, some examples and utilities.
Open3DQSAR depends on OpenBabel for file format conversions and atom type assignment.
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 Open3DQSAR, and install it in the same place where you previously installed Open3DQSAR. 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 Open3DGRID, just install it in the same place where you previously installed Open3DQSAR and
openbabel_for_open3dtools, and everything will work out of the box as long as you keep the original arrangement of the directory tree.