Seurat Administrators Guide

Seurat Administrators Guide. 1

1 How to use this Manual 3

2 Creating or Updating the Database Schema. 3

2.1 Unix. 4

2.1.1 Create cMet Test Data in Oracle. 4

2.1.2 Create cMet Test Data in PostgreSQL.. 5

2.1.3 Map Seurat to Existing Med Chem Database in Oracle. 6

2.1.4 Create Empty Synaptic Science Seurat Database in Oracle. 8

2.1.5 Create Empty Synaptic Science Seurat Database in PostgreSQL.. 9

2.2 Windows. 11

2.2.1 Create cMet Test Data in Oracle. 11

2.2.2 Create cMet Test Data in PostgreSQL.. 12

2.2.3 Map Seurat to Existing Med Chem Database in Oracle. 13

2.2.4 Create Empty Synaptic Science Seurat Database in Oracle. 13

2.2.5 Create Empty Synaptic Science Seurat Database in PostgreSQL.. 14

3 Seurat Architecture Overview.. 16

3.1 Seurat GUI Clients. 16

3.2 Web Based API Clients. 17

3.3 Cache Builder 17

3.4 Seurat Server 17

3.5 Crystal Structures. 18

3.6 PK Reports. 18

3.7 DB Mapping Files. 19

3.8 Seurat Jobs. 20

3.9 Property Predicitons. 20

3.10 Cached Results. 20

4 Administering the Seurat Server on Windows XP. 21

4.1 Interactive Seurat Server 21

4.2 Schedule Auto Restart Seurat Server 22

4.3 Run Scheduled Seurat Server Now.. 23

4.4 Stop Scheduled Seurat Server Now.. 23

4.5 Show Scheduled Task(s) Status. 24

4.6 Install Seurat Server as a Windows Service. 24

4.7 Interactive Cache Builder 25

4.8 Schedule Daily Cache Builder 26

4.9 Run Scheduled Cache Builder Now.. 27

4.10 Stop Scheduled Cache Builder Now.. 27

4.11 Update Database Schema. 27

4.12 Create Database Schema. 28

4.13 Uninstall SEURAT Server 29

5 Administering the Seurat Server on Unix. 29

5.1 Interactive Seurat Server 30

5.2 Scheduled Seurat Server 30

5.3 Interactive Cache Builder 30

5.4 Scheduled Cache Builder 31

5.5 Update Database Schema. 31

5.6 Create Database Schema. 31

5.7 Uninstall Seurat 32

6 Creating new Seurat Users. 32

6.1.1 PostgreSQL.. 32

6.1.2 Oracle. 36

7 Administering the Seurat Client 36

7.1 Specifying the database parameters. 36

7.1.1 Database Connection Parameters. 37

7.1.2 Database to Search Parameters. 38

7.1.3 Other Database Parameters. 38

7.2 Specifying the license file and server location. 39

8 Configuring Seurat for Remote Client Access. 41

8.1 Oracle Configuration: Grant Remote Access to Seurat Users. 42

8.2 PostgreSQL Configuration: Grant Remote Access to Seurat Users. 42

8.3 Configure Seurat for Remote Access to Seurat Server and Database. 44

8.3.1 Running on Unix. 44

8.3.2 Running on Windows. 45

8.3.2.1 Configure Seurat Server Database Connection Settings