Release Notes for HINT 2.30S

1. HINT 2.30S has been optimized to work with SYBYL 6.5+
   HINT was compiled in 2 ways:
   • Under Irix 6.5 on a R4400 SGI using the -32 compiler directive and the Sybyl 6.4 R4000 binary libraries for R4000+ processors
   • Under Irix 6.5 on a R4400 SGI using the -mips3 compiler directive and the Sybyl 6.5 R5000 binary libraries for R5000+ processors
   (See the Installation instructions for more information.)

2. The Hint Contour Dialog has been updated with a new facility for picking contour levels as a fraction of range. The levels now available are 10%, 20%, 33%, 50% and 75%. If these levels do not fit your usage patters, please let us know so we can either revise for the next release or show you how to modify this at your site. (This enhancement was suggested by Arthur Doweyko of Bristol-Myers Squibb.)

3. A new feature for optimizing water (or other small ligand) positions within models using the HINT score as a forcefield has been added. This is the first step of an ongoing initiative to make HINT a more active tool for model building, rather than being a passive analysis tool. A new Lesson has been added to the tutorials describing the use of this new functionality.

4. Molecules with very long "names" caused HINT core dumps. This has been corrected.

5. An error in the "write_partition_file" executable has been corrected.

6. The hintcells.spl script had errors. These have been corrected. (Thank you to David Demeter of Dow AgroSciences for pointing out this error.)

7. A few other minor algorithm and database corrections have been made.