Features exported to CDXML
The following page will summarize the currently supported features and objects in CDXML export.
Please note that CDXML export is currently in Alpha version. The supported features are continuously expanded.
Basic feature set (atoms, bonds)
| Feature |
Status |
| All elements |
 |
| Atom coordinates |
|
| Isotopes |
|
| Radical |
|
| Charge |
|
| Single bond |
|
| Double bond |
|
| Triple bond |
|
| Aromatic bonds |
|
| Stereo bonds (up, down, up OR down) |
|
| Hashed bond |
|
| Bold bond |
|
Query atoms and bonds
| Feature |
Status |
| Atomlists |
|
| Atom alias |
|
| Any atom |
|
| Any atom or hydrogen |
|
| Any halogen |
|
| Any halogen or hydrogen |
|
| Any metal |
|
| Any metal or hydrogen |
|
| Hetero atom (query) |
|
| Hetero atom or hydrogen (query) |
|
| Star atom (query) |
|
| Any bond |
|
| Double or aromatic (query bond) |
|
| Single or aromatic (query bond) |
|
| Single or double (query bond) |
|
| Cis or trans bond |
|
Reactions
The basic reaction export is now fully supported.
| Feature |
Status |
| Reactants |
|
| Agents |
|
| Multiple components |
|
| Reaction atom mapping |
|
Reaction arrow types
| Arrow type |
Status |
| Single arrow |
|
| Double arrow |
|
| Curved arrow |
|
| Dashed arrow |
|
| Retrosynthetic arrow |
 |
| Equilibrium arrow |
|
| Resonance arrow |
|
| Crossed arrow |
|
| Double headed arrows |
|
| Formatted arrows (e.g. head style, thickness) |
|
| Feature |
Status |
| Enhanced stereo labels |
|
| Retention (query property) |
|
Coordinate bonds, coordination chemistry
| Feature |
Status |
| Coordinate bonds |
|
| Multi-center for coordinate bonds (e.g. for organometallics) |
|
Graphical objects
| Feature |
Status |
| Graphical arrows |
|
| Graphical arc |
|
| Brackets (rounded, square, braces) |
|
| Linear shapes (line, path) |
|
| Elliptical shapes (circle, ellipse) |
|
| Graphical image |
|
| Graphical plus sign |
|
| Rectangles (including rounded) |
|
| Textboxes |
|
| Formatted graphical objects (e.g. color, fill color, thickness, style) |
(when applicable) |
Display features
| Feature |
Status |
| Atom color |
|
| Atom font |
|
| Label font type |
|
| Label font size |
|
| Charge color |
|
| Charge location |
|
| Lone pairs |
|
| Bond color |
|
| Bond thickness |
|
| Highlight (bond, atom) |
|
| Document background color |
|
| Document level font type and size |
|
| Stereo label visibility |
|
| Stereo label position and color |
|
Groups
| Feature |
Status |
| Abbreviated groups |
|
| Generic groups |
|
| Repeating units |
|
| Multiple group |
|
| SRU polymer |
|
| Modification |
|
| Graft polymer |
|
| Crosslink |
|
| Mer |
|
| Monomer |
|
| Link node |
|
| Copolymers |
|
| Mixtures |
|
| Components |
|
| Repetition range |
(when applicable) |
| Repetition pattern |
(when applicable) |
Attached data
| Feature |
Status |
| Attached data on atoms (with query operators) |
|
| Attached data on bonds |
|
| Attached data on atom sets |
|
| Attached data on contracted abbreviated groups |
|
| Feature |
Status |
| Extra properties on atoms |
|
| Extra properties on bonds |
|
| Extra properties on atom sets |
|
| Extra properties on groups |
|
| Extra properties on contracted abbreviated groups |
|
Markush structures
| Feature |
Status |
| Position variation bonds |
|
| Basic Markush features (R-atom, R-group, Markush scaffold) |
|
| Nested R-group definitions |
|
| Multiple R-group definitions |
|
| R-group ligand order |
|
| R-logic (if/then, restH) |
|
Atom and bond query properties
| Feature |
Status |
| Inversion |
|
| Retention |
|
| Ring bond count |
|
| Substitution count |
|
| Unsaturated atom |
|
| Bond reacting center: center, change, make and change, make or break, not center |
|
| Bond topology: in chain, in ring |
|