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Acquire

1. Get the catalog from the vendor, usually in SDF. NB. we need to automate this step as much as possible

2. on nfshead2 in ~xyz/raid3/stage3/ or /raid6/tmp/xyz/ gunzip SDF into a directory

3. pc2unix '*.sdf'

4. make ism

foreach i (*.sdf)
namesdf.pl '<TAG>' < $i > $i.sdf
convert.py --i=$i.sdf --o=$i.ism

end

5. combine and move

cat vendoris*.ism > all mv all ~xyz/raid8/catalog/vendorid.in ln -s !$ vendorid.ism

6. mark depleted

deplete.pl vendorid < vendorid.ism

7. process on sgehead2 mas.csh vendorid vendorid.ism ; # nb may run for a long time!

nb periodically delete output

8. update filter info, error info

9. export database on nfshead5

cd ~xyz/raid8/byvendor/.temp

mkdir vendorid
cd vendorid
callgr17.csh

(may take a long time)

10. export database on nfshead5

extractthis.csh vendorid nodb mol2

NB db if annotated mol2 in all cases

11. if big, cluster on korn

kornit.csh vendorid `pwd`

12. finish off on wilco

./all.csh 
updateit.pl < log
./all.csh
cd vendorid
dosubset4.pl vendorid vendor

13. email vendor telling them their catalog has been updated in ZINC

14. write tweet, etc. announcing, if appropriate.

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