ZINC 12 curation

Never wrote it down, so it goes

• acquire SDF
• pc2unix
• procsdf.pl <catname> <sdf_file> > a.sdf
• convert.py --i=a.sdf --o=a.ism
• sort -k 2 a.ism |head # check codes mapped
• mv a.ism ~xyz/raid8/catalog/<catname.in>
• ln -s !$ <catname>.ism
• deplete.pl <catname> < <catname>.ism
• mas.csh <catname> <catname>.ism
• NB variations based on catalog size, number of tranches
• when done, go to nfshead5
• cat done/*filt | sort > a ; mv a ~xyz/raid8/filtering/<catname>.filt
• cd ~xyz/dockenv/byvendor/.temp
• zexport.csh
• when done, go to wilco
• cd ~xyz/dockenv/byvendor ; rm -rf <catname>; mv .temp/<catname> .
• all.csh <catname> vendor
• updvendor.pl < log
• cd <catname> ; dosubset5.pl <catname> vendor
• write the vendor using the standard template.

• quarterly, update subsets