What's New in Version 4.72 Michael A. Kappler Daylight CIS

The differences between v4.71 and v4.72 are covered. DayCart^TM support on additional operating systems and a performance enhancement are introduced. Bug fixes are introduced for DayCart, the SMILES toolkit, ClogP, ThorServer MerlinServer, JavaGrins, DayUtilServer and Smi2Gif. A new upgrade process is introduced, providing an interactive, simple and reversible way to modify a Daylight installation.

Details of Change

• DayCart
  • Support for Red Hat 6.2 and SGI Irix 6.4+
  • Correction of Memory allocation on Solaris 7
  • Accuracy improvement of floating-point precision
  • Performance improvement of substructure search
  • Corrected truncation of fprogob(CLOB...)
  • API is 100% backwards compatible
  • Installation streamlined
  • Library is relocated

• SMILES Toolkit
  • Canonicalization involving chirality on symmetrical rings

• ClogP
  • Patched boundary overrun
  • Corrected runtime error codes

• ThorServer
  • Corrected a specific TDT merge scenario

• MerlinServer
  Corrected tabulation of pool memory usage

• JavaGrins
  • Performance improvement overall
  • Correction for variable lengths and angles
  • Correction of multiple instances

• DayUtilServer
  • Correction for simultaneous licensing
  • Discontinuation of the Java Runtime Environment

• Smi2Gif
  • Discontinued automatic orientation
  • Set average bond length of 2D coordinates
  • Added support for reorientation, explicit CH's, coordinate hints

New Upgrade Process

• Requires an full installation (i.e., v4.71)
• Followed by a patch installation (i.e., v4.72)