Local Access

If you are a member of the Structural Biology group at Purdue, and would like to have access to these programs, it is not necessary to download the programs. These programs are installed on a cluster of IBM RS/6000 workstations. You should obtain an account on the cluster, configure your account to point to the XTAL programs and run your crystallography data through the programs.

Hardware Setup

The IBM RS/6000 cluster consists of the workstations named dart, dash, deft and deep. These machines are maintained by the Purdue University Computing Center (PUCC). However, new account application for people in Structural Biology should be directed to Dwight D. McKay who is the Computer Systems Specialist in the Department of Biological Sciences. Once you have been given an account on the cluster, you can login to any of the 4d workstations such as dart.cc. The following directories are accessible on the cluster :

/usr/site/xtal/Xprogs



/usr/site/xtal/xtalk



/usr/site/xtal/Xlib


/usr/site/xtal/Xman


/usr/site/xtal/Data


/usr/site/xtal/bin



/usr/site/xtal/bink



/usr/site/xtal/Scripts


contains source code and sample
test files for the non-keyworded
version of the PUXTAL programs

contains source code and sample
test files for the keyworded version
of the PUXTAL programs

contains the local libraries
needed to link the PUXTAL programs

contains documentation pages for
the PUXTAL programs

contains the data files used in
some of the test cases

contains the executables of the
non-keyworded version of
the PUXTAL programs

contains the executables of the
keyworded version of
the PUXTAL programs

contains some useful scripts for
local commands

Software Setup

After obtaining an account on the IBM RS/6000 cluster, you should add the following line to your .cshrc file to establish some environment variables :

You should also add this line to your .login file :

/usr/site/xtal/.login sets up your path so that you can easily access the XTAL executables in /usr/site/xtal/bin and /usr/site/xtal/bink. It also sets up the MANPATH environment variable so that you can access the manual pages stored under /usr/site/xtal/Xman. For example, you can read the manual on the mgrosc program by issuing the command :

If your MANPATH environment variable is not set up properly, you can access the mgrosc manual page by issuing :

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