CLUE: A GUI for cluster browsing

TJ O'Donnell
Daylight CIS, MUG96 meeting

The following list selects overheads used in my presentation at MUG96, February 27, 1996. Yes, they are terse, being intended to remind those who attended the meeting, rather than to be a full explanation of CLUE.

CLUE = CLUster Examiner

Design Goals

Design decisions

Design compromises

Precompute and store some data in database. Increases size of database. increases CLUE startup (load database) time, but speeds up user interaction.

For example: (time on Iris 36MHz 4D/35)

     Nclus/Ncomp    Size(Mb)   Create(sec)   Load(Sec)
           3/24      0.007         xx           5
         23/500      0.083        xxx           7
      368/2,825      1.006        xxx          23
   1,753/39,468      8.610        xxx         140
 12,834/198,637     45.717        xxx         370
Once any database is loaded, time to navigate (scroll, etc.) is constant. Some operations (load compounds, depict) depend on individual cluster size.

Contents of gdbm database

Sample CLUE GUI window(43K gif)

Sample CLUE GUI menu(43K gif)

Sample PRADO output for compound(6K gif)

Sample PRADO output for cluster(11K gif)

Future work


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