Page tree

Versions Compared

Key

  • This line was added.
  • This line was removed.
  • Formatting was changed.


Section


Column

Children Display

The cdx format of CambridgeSoft's ChemDraw is imported and exported by Marvin. The import of cdxml format is supported, but export isn't.

Import

Supported features

  • Atom properties: Following properties are supported: charge, isotope, substituents, free sites, unsaturation, reaction stereo, enhanced stereochemistry, radical, ring bond count.
  • Element: The 'Element' type node is read as a single atom. For the supported properties see the supported Atom properties list.
  • Element List: Element Lists are read as Atom List (or not list). For the supported properties see the supported node properties list.
  • Label: Labels are converted to an S-group and imported in its contracted state.
  • Nickname: Nicknames are converted to an S-group and imported in its contracted state.
  • Bond types: Single bonds, double bonds, query bonds, topology, reaction centers are imported. See details.
  • Fragment
  • Generic Label: Generic Labels are read as Generic query atoms.
  • Attachment Points: Attachment Points are imported.
  • Reaction arrows: All types of arrows are imported, but only one arrow per file.
  • Bracketed groups: All groups are imported.
  • Alternative Group: Alternative Groups are read as R-groups, up to two connections per R-group.
  • Anonymous Alternative Group: An Anonymous Alternative Group is imported as R-group and is assigned the R-group number n+1 where n is the largest R-group number in the file.
  • R-logic
  • Link Node: Link Node is read as Link Node.
  • Variable Attachment and Multi-Center Attachment: These are imported as Multicenter S-groups.
  • Text Box: Marvin reads the position and the formatted text.
  • Basic Graphic Objects: Ellipses, rectangles and some of the symbols are read. See details.
  • Graphic Objects: Tables and TLC plate drawings are imported as graphics. See details.
  • Formatted text in atom labels: supported since 6.2.0.


Column


Panel

Code: cdx, cdxml

Extension: .cdx, .cdxml



...