The O/S utilities listed below are intended for system administrators and advanced users who administer their own private databases. They are documented in the UNITY Manual, except as indicated. These utilities are entered at the operating system prompt.

• Utilities Grouped by Function
• Alphabetical List of Utilities

Utilities Grouped by Function

• Manage Fingerprints
• Manage Screens
• Create Databases
• Database Cleanup
• Manage Database Content
• Obtain Database Information
• Database Administration
• Perform Searches and Manipulate Resulting Hitlists
• Export and Translate

Manage Fingerprints

Create fingerprint file	dbmkfprint
Apply fingerprints	dbaddfprint
Generate data for optimizing screen definition	dboptfprint

Manage Screens

Compute inverted bitmap	dbmkbitscreen
Create/Update screen	dbmkscreen
Dump, convert, reload existing screens	dbconvertscreen
Display bits set in specified screen	dbscreeninfo

Create Databases

Register compounds	dbimport
Create from hitlist file	dbload

Database Cleanup

Check nature of database content and check for duplicate coordinates	dbcoordcount
Remove salts	dbstripsalt
Scan for referential integrity problems	dbverify

Manage Database Content

Add, retrieve, update, and delete records	dbregister
Compute 3D coordinates using Concord®	dbconcord3db
Add data from ASCII file to column	dbaddcolumn
Compute metric	dbcomputecolumn
Remove data column	dbdeletecolumn
Remove compounds	dbremove
Sort database or selection sets	dbsort

Obtain Database Information

Preview content of input file for selective column importing (used by dbimport and dbaddcolumn)	dbscanfile
List database information	db3dbinfo
Report database statistics	dbanalyze
Generate customized report	dbreport
Publish structures to an HTML grid	dbgrid
Score compounds based on a rule definition	dbscore
Measure (dis)similarity of 2 databases	dbcmpr (Selector)

Database Administration

Manage logging of users' database activity	dbaudit
Repair database by rebuilding corrupt files	dbfsck

Perform Searches and Manipulate Resulting Hitlists

2D, 3D, similarity, exact, subset, flex searches	dbsearch
2D and similarity searches	db2dsearch
Multiple dbsearch processes	dbdispatch
Filter by data value	dbfilter
Filter compounds based on metrics	dbslnfilter (Selector)
Create and manipulate selection sets	dbset
Select diverse set with the OptiSim algorithm	dbdiverse dbdiverse (Selector)
Select maximally dissimilar subset	dbdiss (Selector)
Select diverse set with RNN Packing algorithm	dbselect (Selector)
Report compounds similar to those in a list	dbsimilar (Selector)
Manipulate hitlists outside of Hitlist Manager	dbhitlist
Access Hitlist Manager	hitlist

Export and Translate

Export records	dbexport
Translate between formats	dbtranslate
Generate a hitlist of SLNs or CSLNs from one or more CSLNs.	dbexplode
Create and reuse FSLN files.	dbfsln (Legion)
Translate SLN or SMILES file to .png or .gif file	sln2img

Alphabetical List of Utilities

db2dsearch	dbimport
db3dbinfo	dbload
dbaddcolumn	dbmkbitscreen
dbaddfprint	dbmkfprint
dbanalyze	dbmkscreen
dbaudit	dboptfprint
dbcmpr (Selector manual)	dbregister
dbcomputecolumn	dbremove
dbconcord3db	dbreport
dbconvertscreen	dbscanfile
dbcoordcount	dbscore
dbdeletecolumn	dbscreeninfo
dbdispatch	dbsearch
dbdiss (Selector manual)	dbselect (Selector manual)
dbdiverse	dbset
dbdiverse (Selector manual)	dbsimilar (Selector manual)
dbexplode (Legion manual)	dbslnfilter (Selector manual)
dbexport	dbsort
dbfilter	dbstripsalt
dbfsck	dbtranslate
dbfsln (Legion manual)	dbverify
dbgrid	sln2img
dbhitlist

Copyright © 2007, Tripos, L.P. All rights reserved.