v14.10

ctober 28th, 2014: Marvin 14.10.27.0

Bugfix

  • Editing

The index of repeating unit polymers was not properly formatted.

Empty atom label could be created.

Attachement point(s) got erased upon placing an abbreviated group in its expanded form on the canvas.

  • Import

MDL Molfile generated by Marvin JS could not be pasted into MarvinSketch.

  • Structure representation

2D clean of certain atropisomers resulted in chirality change.

October 21th, 2014: Marvin 14.10.20.0

New feature

  • Structure representation
    M/P atropisomer stereodescriptors are assigned to biaryl compounds having at least 3 (2+1) ortho substituents.

Bugfix

  • Editing

Expanded amino acids got ungrouped when bond was drawn from one of their attachment point

October 14th, 2014: Marvin 14.10.13.0

Bugfix

  • Export
    Hydrogen query properties of atoms within tetrahedral stereo configuration were not exported correctly to SMARTS.

October 8th, 2014: Marvin 14.10.7.0

New features and improvements

  • Structure Representation

Alias, pseudo and abbreviated group labels are centered.

Bugfix

  • Image I/O

The size of circled charge labels was not considered during image export.