-- DavidSchuller - 15 Sep 2022

Software for processing structural biology data on CLASSE computers is kept under directory /nfs/chess/sw/macchess

A variety of packages are kept under this directory, including HKL2000, XDS, Phenix and CCP4. MacCHESS staff maintain the packages.

A startup script for crystallographic users appears in this directory as BASHRC. This script sets up context for the various packages, including execution paths and environmental variables, and should be sourced from a user's ${HOME}/.bashrc file, like this:

if [ -e /nfs/chess/sw/macchess/BASHRC ]; then

source /nfs/chess/sw/macchess/BASHRC

fi

As of 2023-10-23 there is a script to modify your .bashrc file for you. From the Linux command line enter:

/nfs/chess/sw/macchess/bin/fix_bashrc

---

A startup script for BioSAXS users appears as BASHRC_SAXS, which can be called from a user's ${HOME}/.bashrc file, like this:

if [ -e /nfs/chess/sw/macchess/BASHRC_SAXS ]; then
source /nfs/chess/sw/macchess/BASHRC_SAXS
fi

A web page with this and more information appears on the CHESS web site: link