Hi Abbie,
Could you try:
~douglas/scripts/docking/sdfgrep.ksh -l file.sdf | sed "s/_.*//" | sort -u | head -10000 | sort -n > list.txt
Then 'wc -l list.txt' to see how many compound IDs are there?
Doug
Hi Abbie,
Could you try:
~douglas/scripts/docking/sdfgrep.ksh -l file.sdf | sed "s/_.*//" | sort -u | head -10000 | sort -n > list.txt
Then 'wc -l list.txt' to see how many compound IDs are there?
Doug