Release notes for 3.4.x releases

  • August 16th 2004 Marvin 3.4.3. New mouse drag actions in sketcher: templates can be rotated before putting in template mode, two connected atoms can be placed in atom mode. Bugfixes.
  • August 05th 2005 Marvin 3.4.2. Bugfixes
  • July 29th 2005 Marvin 3.4.1. Calculator Plugin API usage examples. Reactivity plugin renamed to Huckel Analysis plugin. Bugfixes.
  • July 1st 2005 Marvin 3.4.
    • New formats: ChemAxon Extended SMILES and SMARTS, Gaussian Cube. Improved import/export in MDL Molfile (embedded S-group support), SMILES, SMARTS, Marvin Document and CML formats.
    • Improved pKa, logP, logD calculation.
    • New plugins: Reactivity, Hydrogen Bond Donor-Acceptor (HBDA), Major Microspecies, Refractivity
    • GUI:
      • S-group editing improvements. Amino acid templates can be put on the screen in contracted state. Contracted groups with two attachment points are connected properly (point 2 in group 1 to point 1 in group 2).
      • Explicit lone pairs can be added to atoms.
      • Atom symbol font and bond thickness can be set in Preferences.
      • Graphics object properties can be set for many selected objects at once.
      • Automatic atom mapping (Edit/Atom Maps menu)
      • Real-time monitoring of the progress of command line molecular dynamics simulations.
    • 3D: More exact structures, faster generation. Generating conformers (Edit/Clean/3D/Select conformer).

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