(needs to be updated)
Generate the following directories on each compute node to contain important executables:
/usr/local/procksi/CE/ /usr/local/procksi/Cluster/ /usr/local/procksi/DaliLite /usr/local/procksi/FAST/ /usr/local/procksi/MaxCMO-MSVNS/ /usr/local/procksi/MolScript/ /usr/local/procksi/ROCCH/ /usr/local/procksi/TMalign/ /usr/local/procksi/URMS/ /usr/local/procksi/Vorolign/ /usr/local/procksi/SCOP/
For the following installation of the ProCKSI server components, the following executables must be present:
/usr/local/procksi/CE/CE /usr/local/procksi/Cluster/qclust /usr/local/procksi/DaliLite/DaliLite /usr/local/procksi/FAST/fast /usr/local/procksi/MaxCMO-MSVNS/MaxCMO-MSVNS /usr/local/procksi/MolScript/molscript /usr/local/procksi/MolScript/molauto /usr/local/procksi/ROCCH/ROCCH /usr/local/procksi/TMalign/TMalign /usr/local/procksi/URMS/urms /usr/local/procksi/Vorolign/vorolign.jar
The following SCOP databases must present:
/usr/local/procksi/SCOP/dir.cla.scop.txt /usr/local/procksi/SCOP/dir.cla.scop.txt_UniqueMulti /usr/local/procksi/SCOP/dir.cla.scop.txt_UniqueSkip
- Download !MolScript from the repository.
- Make sure that the freeglut and freeglut-devel packages are installed.
- Compile using the Makefile provided for the x32- or x64-architecture.
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:
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
Other Visualisation Software¶
- Install !ImageMagick from the [source:Externals/Graphics repository] (sources) if not already installed
- Install Raster3D from the [source:Externals/Graphics repository] (sources)
- Install !GraphViz from the [source:Externals/Graphics repository] (RPM)
- Install pyparsing from the [source:Externals/Python repository] (sources)
- Install pydot from the [source:Externals/Python repository] (sources)