Molecular Modeling Team

sietraj download and installation

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Note: The runtime library requires an Intel/AMD Linux system. If you wish to use a different platform, send email to ccb@bri.nrc.ca.
Installation of sietraj
After downloading, extract the files as follows.
prompt% tar -xvzf sietraj_full.tar.gz Brimm/ Brimm/README Brimm/LICENSE Brimm/configure.sh Brimm/other_licenses/ Brimm/other_licenses/SQLite_Copyright.html Brimm/other_licenses/tcltk_license.html Brimm/bin/ Brimm/bin/sqlite3 Brimm/bin/sietraj Brimm/bin/versions/ Brimm/lib/ Brimm/lib/versions/ Brimm/lib/versions/Britcl-v2.3c-32.so Brimm/lib/versions/Britcl-v2.3c-64.so Brimm/lib/versions/tclsqlite3.7.9-32.so Brimm/lib/versions/tclsqlite3.7.9-64.so Brimm/lib/tclsqlite-32.so Brimm/lib/tclsqlite-64.so Brimm/scripts/ Brimm/scripts/amb2syb.tcl Brimm/scripts/amber_util.tcl Brimm/scripts/Britcl_functions.tcl Brimm/scripts/manifest.sh Brimm/scripts/manifest.txt Brimm/scripts/Britcl_startup.tcl Brimm/apps/ Brimm/apps/sietraj/ Brimm/apps/sietraj/sietraj Brimm/apps/sietraj/sietraj.tcl Brimm/apps/sietraj/averages.awk Brimm/apps/sietraj/dbaverages.awk Brimm/apps/sietraj/examples/ Brimm/apps/sietraj/examples/1VET.prmtop Brimm/apps/sietraj/examples/1VET.trj Brimm/apps/sietraj/examples/bcl2.trj Brimm/apps/sietraj/examples/1VET.sh Brimm/apps/sietraj/examples/1VET.txt Brimm/apps/sietraj/examples/bcl2.prmtop Brimm/apps/sietraj/examples/bcl2.pdb Brimm/apps/sietraj/examples/bcl2.sh Brimm/apps/sietraj/crd2trj.awk Brimm/apps/sietraj/crd2trj.sh Brimm/apps/sietraj/siecrd.tcl
This will extract the files into a subdirectory called Brimm. The subdirectories lib and scripts contain the core libraries used by sietraj and other future modules. Go to the Brimm directory and run configure.sh. This sets the BRIMM_ROOT environment variable in sietraj. If you move the Brimm directory to another location, re-run configure.sh to redefine BRIMM_ROOT. You are now ready to run the examples described in the sietraj main page.

How to contact us
Send feedback, suggestions or queries to ccb@bri.nrc.ca.