What's New in Version 4.73 Michael A. Kappler Daylight CIS

The differences between Daylight Software Release v4.72 and v4.73 are covered. Bugs have been fixed for DayCart, Merlin Control Language, Merlin Server, Print Package, Program Object and Reaction Toolkits, and Thor Manager. New developments include support of Solaris 8 for DayCart, a JavaGrins Server that doesn't require a Java Runtime Environment, support of Reaction SMILES and SMIRKS in depictions, plus options Print Package and Thor Filters. The upgrade process continues to provide an interactive, simple and reversible way to modify a Daylight installation.

Bug Fixes

• DayCart
  • A workaround has been implemented for index corruption during multiple simultaneous updates relating to a known Oracle Bug (from Oracle Support: Bug #1668041.1, Note #161528.1)
    Note: Indexes are 100% backwards compatible
  • The Alpha and Beta parameters to the ftversky() function were reversed
    Note: The index form of the tversky() function has been correct
  • Loss of Blank lines and garbled one-character messages using fprogob()

• Merlin Control Language
  • In MCL, output was missing a newline when a field was empty

• Merlin Server
  • In MERLINSERVER, superstructure search sometimes failed for certain SMILES queries

• Print Package
  • In PRADO, the options for width of lines and boldface font worked on the first page only

• Program Object Toolkit
  • Memory leak affecting MERLINSMARTSTALK and users programs.

• Reaction Toolkit
  • Aromaticity of some three ring aromatic structures generated by dt_transform()

• Thor Manager
  • In STHORMAN (Linux only), a segmentation fault after display of database content summary [menu sequence: 5) Databases..., 3) Get database information..., 2) Content summary]

New Developments

• DayCart
  • Solaris 8 is now supported. The cartridge has been tested on Oracle 8.1.5, 8.1.6, and 8.1.7, both Standard and Enterprise edition, on Solaris 7 & 8, Red Hat 6.2, and IRIX 6.4+

• JavaGrins Server
  • The DAYUTILSERVER has been re-released as a native executable, no longer depends upon an installed JRE, and uses the Daylight Option Manager. See the JavaGrins/Dayutilserver Installation and Administration Guide for details.

• Depictions
  • The SMI2GIF DayCGI tool supports Reaction SMILES and SMIRKS. For Reaction SMILES, the atom map class numbers are denoted as atom label subscripts. For SMIRKS, depiction is supported plus SMARTS expressions are denoted as atom labels. The Example DayCGI Depict program can be used to demonstrate these features. See the smi2gif CGI Test for more information.

• Print Package
  • Options for width of lines (-PRINT_LINEWIDTH) and boldface font (-PRINT_BOLDWIDTH) and suppression of atom labels (-DEPICT_SUPPRESS_LABELS) are supported for printing programs (PRADO, TREETOPS, and TABLET).

• Thor Filters
  • In THORLIST, options for retrieval of data that is earlier (-BEFORE) or later (-SINCE) than a specified date and time is based on the last modification (TIMESTAMP) of the data. See the THORLIST man page for the format of the data and time string.

Upgrade Process

• Requires an full installation (i.e., v4.71)
• Followed by a patch installation (i.e., v4.73)

Note: The database format of all 4.7x versions are identical