CCL: ChemTK and large data sets
- From: David Miller
- Subject: CCL: ChemTK and large data sets
- Date: Wed, 07 Jan 2004 03:25:22 -0000
ChemTK version 2.9 is now available for download from:
Among other new features, ChemTK 2.9 now runs in a "virtual mode"
designed to reduce memory usage. Using the Aug 2000 release of the
NCI Open Database as a test case, the new version requires an average
of only 75 MB of memory for every 100,000 molecules opened.
Other features include:
- Document limit increased to 1,000,000 molecules
- Hierarchical sorting added (e.g., secondary and tertiary sorting)
- The R Table View supports substructure and name searches, clipboard
operations, depiction enlargement, column insertion and deletion,
and expanded export options
David W. Miller, Ph.D.
Sage Informatics LLC