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.
Codename: cdx, cdxml
Extension: .cdx, .cdxml
Not supported features:
- ElementListNickname
- ElectronFlow arrow
- Complex graphical objects (e.g. laboratory equipment drawings, biological drawings)
Notes
- Only ASCII characters are imported.
- R-logic import is supported, export not yet.
Export
Supported features
- Chemical structures
- Formatted text
- R-groups: R-logic is not supported.
- S-groups
- Atom and bond query properties
- Rectangles, rounded rectangles and ellipses
- Reactions