ProCKSI

= External Software for ProCKSI =
(needs to be updated)

Generate the following directories on each compute node to contain important executables:
{{{
/usr/local/procksi/Cluster/
/usr/local/procksi/DaliLite
/usr/local/procksi/MaxCMO
/usr/local/procksi/MolScript
}}}

For the following installation of the ProCKSI server components, the following executables must be present:
{{{
/usr/local/procksi/Cluster/qclust
/usr/local/procksi/DaliLite/DaliLite
/usr/local/procksi/MaxCMO/ProtCompVNS
/usr/local/procksi/molauto
/usr/local/procksi/molscript
}}}

== Image Software ==

=== Installation ===

==== !ImageMagick ====

* Install ''!ImageMagick'' from [http://www.imagemagick.org www.imagemagick.org] if not already installed.

==== !MolScript ====

* Download Install ''!MolScript'' from [http://www.avatar.se/molscript www.avatar.se/molscript]. Please link the repository.
* Make sure that MesaGL libraries instead of the ''freeglut'' and ''freeglut-devel'' packages are installed.
* Compile using the Makefile provided for the x32- or x64-architecture.

OpenGL libraries; a modified makefile can be found under [source:ProCKSI/install/Makefile.molscript]


=== Virtual Display ===
!MolScript needs an X display in order to generate images (jpg, gif, …). Its possible to use the console X display for the OpenGL bits even if it is not logged in. Therefore, ''procksi'' must be authenticated and allowed to use this X display virtually.

Get and unpack the ProCKSI x-authentication patch from [repos:Externals/Cluster/xauth.tgz].

On each node copy magic cookie file for x-authentication:
{{{
cp :0.Xauth /var/gdm/:0.Xauth
}}}

On each node copy scripts for automatic x-authentication:
{{{
cp procksixauth /usr/local/sbin/procksixauth
cp :0 /etc/gdm/Init/:0
}}}

Restart the X display manager for the changes to take effect:
{{{
/usr/sbin/gdm-restart
}}}

The virtual X display can be used with unix socket '':0'', e.g.:
{{{
molauto protein.pdb | DISPLAY=unix:0.0 molscript -jpeg -out protein.jpeg
}}}