Hi
I have problem with the following commands:
sdsort -n -f'SCORE' docking_out.sd > docking_out_sorted.sd
sdreport -t docking_out.sd > sdreport_results.txt
sdsort -n -s -fSCORE dockingout.sd | sdfilter -f'$COUNT == 1' > dockingoutsdfilter.sd
the first one, sdreport cannot sort the output file I have for the result of 200 poses per ligand of a database of 3000 ligands. It only saves upto 1890th ligannds.
Also I always get the error of the "out of memory " for sdreporrt step.
Can you please help me with that?
Anonymous