Hint 2.30 Manual: Release Notes for HINT 2.30I

Release Notes for HINT 2.30I

  1. HINT 2.30I has been optimized to work with insightII 98.0.
    HINT was compiled:
    • Under Irix 6.5 on a R4400 SGI using the -mips3 compiler directive with the MIPSproTM 7.2.1 compilers.
    There is no R8000/R10000 (64 bit) insightII/HINT executable available. However, the background executable, which is used for non-interactive HINT jobs, has been compiled with the mips4/-64 option and can be used by those with r8000/r10000 processors. (See the Installation instructions for more information.) Also note that there is no further support for Irix5.x and R3000 processors forthcoming from MSI, so we cannot provide it either.

  2. 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.

  3. Parameters for a few cvff atom potential types were changed in this release, now c', cr and c- (with their hydrogenated united atom derivatives) can act as hydrogen bond acceptors under certain circumstances.

  4. A new option for defining the grid extents, based on a (picked) atom position has been added.

  5. The Nitro (NO2) group was being erroneously partitioned by HINT. This error has been corrected. (Error reported by RIck Gussio of NCI - Frederick Cancer Research Facility.)

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

  7. Two aliases are defined in the Hint (2.30I) cshrc file:
    • DEFINE_HINT - sets the library path to use Hint.
    • RESET_INSIGHT - returns the library path to the original.
    Enter one of these two choices before starting InsightII. In either case InsightII is activated by entering "insightII" to the unix prompt.