Plans / Futures / Projects
Jack Delany
DAYLIGHT Chemical Information Systems, Inc. Mission Viejo, CA USA
Release Schedule.
Next minor release, 4.82, is likely shortly after MUG. This will be a patch
release to 4.81, with a few new features.
4.82 Details:
- Bug fixes.
- Transform tmap problem.
- Better spiro handling of stereo.
- Buffer overflow in licensing.
- Xvmerlin dblist bug.
- Documentation cleanups.
- 64-bit toolkit memalign issue.
- New:
- Property calculation package.
- http toolkit-based smi2gif.
- 2D coordinate handling in xvthor/xvmerlin.
4.8x+ Ideas:
- General:
- Daliserver (serve network addresses; floating licensing)
- Additional daycgi replacements.
- General Thor query/viewer
- General Merlin query/viewer
- Replacement db-specific applications (acd, wdi, medchem).
- Oracle:
- Optimizer; support for CLOB, better statistics, user-tuneable?
- Unified database model for commercial databases in Oracle.
- Distribution of commercial databases in Oracle.
- Partitioned tables, indexes.
- Toolkits:
- PC Toolkit / Daycart for Windows2K, XP.
- Conversion toolkit.
- Multithreading in toolkits, merlinserver.
- SMILES/SMARTS/SMIRKS unification.
- Hydrogen handling
- Stereochemistries
- Depictions
Other areas to Discuss:
- Contrib:
Contrib is an area that we want to address. It's gotten more complex
and cumbersome over time. We will be reorganizing it; hopefully to
simplify it's use and make the code more accessible.
- Tutorial programs and examples,
- Useful utilities and cool functionality not appropriate for toolkit layer,
- User contributed code.
- Discontinuing support for some tools:
Remote toolkit, Monomer toolkit and tools.
- New platforms??
Where is the industry going, anyway?