Jji jeremy: Difference between revisions

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  ../../etc/sea-prepare.csh chem2.smi bogus1
  ../../etc/sea-prepare.csh chem2.smi bogus1
  ../../etc/split_db.py chem2.ecfp4.set.gz chem2
  ../../etc/split_db.py chem2.ecfp4.set.gz chem2
= chembl19 update in zinc15 =
zinc15=# grant all privileges on table gene2 to test;
GRANT
zinc15=# grant all privileges on table annotation2 to test;
GRANT
zinc15=# grant all privileges on table note2 to test;

Revision as of 17:13, 26 November 2014

bunch of things going on

a. clustering at 0.2 on gimel

b. loadanno.pl into zinc15

c. sprot/uniprot download fresh

d.


1. mas7.csh - export smiles per sial etc

2. cm2.csh - cluster

3.


sea building

(before this, we ran our extraction scripts out of chembl)

../../etc/sea-prepare.csh chem2.smi bogus1
../../etc/split_db.py chem2.ecfp4.set.gz chem2

chembl19 update in zinc15

zinc15=# grant all privileges on table gene2 to test;
GRANT
zinc15=# grant all privileges on table annotation2 to test;
GRANT
zinc15=# grant all privileges on table note2 to test;