Chembl processing protocol

From DISI
Revision as of 22:57, 19 September 2012 by Tbalius (talk | contribs)
Jump to navigation Jump to search

This is intended for internal use for the BKS lab members.

Everytime a new Chembl comes out we need to process it.

  • Exstact the following information from MYSQL into files and bins.


The "scripts/mysql_export.sh" is a shell script that calls information that has been loaded in to the MySQL data base on SGEHEAD of the BKSLB cluster.

 syntax: mysql_export.sh chembl_db_name [F|B|A]
 
 chembl_db_name  chemble databas file, for example chembl14 is release 
 F -- Functional Data: for example, cell assays to efficacy ( life span of a mouse). 
 B -- Binding Datd:  ki, kd, 
 A -- Affinity: ??

To do this run the following:

>> scripts/mysql_export.sh chembl14 B