User:Frodo
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This is the Frodo user page. Frodo is one of the identities John Irwin uses for maintaining the wiki and ZINC.
how to monitor on mem
watch 'df /var/lib/pgsql ; tail /var/lib/pgsql/9.2/data/pg_log/postgresql-Tue.log ; psql -c "select now() - pg_last_xact_replay_timestamp() AS replication_delay;"'
things to explore
- kekule.js
idioms
Build covalent library as jji
qsub -t 1-1 ~/bin/example_covalent_wrapper.sh `readlink -f ..`
Build non-cov library as jji
http://zinc15.docking.org/genes/EGFR/activities/subsets/100nM/having/substance/subsets/fda/
Build non-cov library as xyz
Run sea kraken as xyz
qsub -t 1-N ~/bin/sea-wrapper.csh `readlink -f ..`
Set up for cov dock
$DOCKBASE/docking/setup/setup_db2.csh /nfs/work/jji/docking/lib2/ahl/one/gz_files $DOCKBASE/docking/submit/submit.csh
cd /opt/bks/src/cluster/puppet/modules/bks-packages/manifests vi init.pp and add package puppet parser validate init.pp cd .. vi Modulefile (up number) puppet module build . puppet module install -f pkg/bks-packages-0.0.26.tar.gz
Then on client machine (or just wait 30 mins, assuming puppet agent is running)
puppet agent -t
(in the zinc15-env)
python -m zinc.management shell (Open a ZINC15 shell) python -m zinc.management server (Start a single-core test server)
zincserver.start-backend.sh (start the multicore backend as the current user) zincserver.stop-backend.sh (stop the multicore backend as the current user)
Config/logs/pid file, etc. is all in /nfs/soft/www/apps/zinc15/run/<HOSTNAME>/...