Release Notes for Zap 1.05S

1. Zap 1.05S has been optimized to work with SYBYL 6.6+
   Zap was compiled:

   • Under Irix 6.5 on a R4400 SGI using the -mips3 compiler directive and the Sybyl 6.7 R5000 binary libraries for R5000+ processors

   (See the Installation instructions for more information.)

2. The Zap manual is totally electronic. We have implemented it in "HTML" format so that it can be viewed using any HTML Web Browser, such as Netscape or StarOffice. This allows us to keep the manual totally current and flexible. As Zap is a new product there will likely be manual revisions on a regular basis. Copies of all of the HTML documents and "gifs" for the Zap 1.05S manual (current to the time at which the tape or download files were written) have been included on the distribution tape in the directory $EDUSOFT_ROOT/eslc/manuals. Note that you can examine a local document (including all local links) with Netscape without having Internet access: The root document is manuals.html. The original and definitive manual is maintained at http://www.edusoft-lc.com/zap/manuals/100/ and attached documents.

3. We have added batch capabilities for Zap maps. (Yes I know it SAID they were there before, but that definitely got left out before.) However, unless the macromolecule is exceptionally large or you want especially fine resolution, it is seldom worth using Netbatch with Zap.

4. About two-thirds of the "high voltage", Zap^HV, enhancements are now in this release:

   1. Zap Solvation (Induced Solvent Charge) Maps, both as a direct menubar item and as a Option for 3D QSAR (CoMFA) fields.
   2. Zap electrostatic binding energy estimates.
   3. Zap 2D (surface) and 3D (volume) structure descriptors as new column types for the Molecular SpreadSheet.
   4. Zap Electrostatic Structure Report provides a unique summary of several structural parameters, e.g., surface area, fractional potential surfaces, etc.
   The remaining HV capabilities are targeted for the next release that is tentatively planned for summer 2001.

5. The Zap manual has been expanded to describe the new Zap^HV enhancements and to add a new tutorial (lesson 4) focusing on Zap electrostatic binding energy and the Zap Electrostatic Structure Report.

6. A new option has been added to the Zap Details dialog to allow changes in the Van der Waals radii of hydrogen.

7. A second new option for the Zap Details dialog, Salt concentration, is still under development. It has been "framed in" the dialog for Zap 1.05S, but is currently inactive. That should also be working for the next release.

8. Note that the default option for ZapCoMFA field generation is now that the Inside Mol Cutoff is now on. Our experiments have shown that this is apparently very important for accurate CoMFA results.