Please be aware that CSD 2021 is currently unsupported on MacOS 11 (Big Sur) and therefore Grade (grade and grade_PDB_Ligand) as well as buster-report are not supported on that platform. Support for MacOS 11 is expected in a forthcoming update to CSD.
We've had reports of long execution times for BUSTER (or Pipedream) on CentOS8 due to our distributed Gnuplot binary taking a very long time. We can partly reproduce this (although not to quite the extent) and would recommend the installation of an OS-specific version of Gnuplot on those systems.
As root, run
yum install gnuplot
and as software installer run
echo "setenv BDG_TOOL_GNUPLOT \"/usr/bin/gnuplot\"" >> $BDG_home/setup_local.csh echo "export BDG_TOOL_GNUPLOT=\"/usr/bin/gnuplot\"" >> $BDG_home/setup_local.sh
The setting of the environment variable BDG_TOOL_GNUPLOT will ensure the use of the newly installed OS-version of "gnuplot".
Remember that CentOS8 will reach end-of-life on December 31, 2021, while CentOS7 is still supported til June 30th, 2024!
The packages required for the pymol binary we provide to run on CentOS-7 can be install with the following command run as root
yum -y install python36-tkinter freeglut libGLEW