Release notes for 3.3.x releases

• March 9th 2004 Marvin 3.3.3.
  • MDL Molfile import: S-groups are contracted by default. Importing in expanded form; use the Xsg option.
  • New abbreviations in the default abbreviated group list.
  • Improved pK_a, logP, logD calculation.
  • Bugfixes
• February 4th 2004 Marvin 3.3.2.
  • Mac OS X: MarvinSketch and MarvinView applications use the Mac OS X menu bar.
  • Bugfixes
• January 14th 2004 Marvin 3.3.
  • MarvinSketch:
    • Inserting graphics objects: lines, rectangles, text boxes. They can also be rotated.
    • Recognition of more than four hundred chemical abbreviations.
    • Multiple S-group creation.
    • Aromatic ring condensation.
  • Marvin has an own XML based document format.
  • Import/Export improvements: CML 2, MDL Molfiles (multiple S-group support), image export, Base64.
  • Molecule display: Bond sets with different colors. Higher quality display of bond lines.
  • 3D cleaning: Analitic gradients in Dreiding forcefield.
  • New calculator plugin for calculating the polar surface area of the molecule with the topological method.
  • Double click in Windows operating systems opens chemical files with the MarvinView application.
  Other changes