Revision as of 16:51, 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