The atom properties are exported to CDX file format the following way:
Chemaxon | ChemBioDraw | Comment |
---|---|---|
Atomic charge | ||
's<n>' query property except 's*' | Substituents Exactly | |
's*' query property | Free Sites '*0' | |
'u' query property | Unsaturation | |
Reaction Stereo | ||
Enhanced Stereochemistry | ||
Radical | ||
'h<n>' query property except 'h<0>' | Free Sites set to implicit hydrogens on the atom minus n. | |
'h<0>' query property | Implicit Hydrogens not allowed. | |
'rb<n>' query property | Ring Bond Count | |
'H', 'X', 'R', 'r' query properties and Query Valence | Written and read as user definied properties. ChemBioDraw removes them. |
The following bond features exported to CDX file format from Marvin:
Chemaxon | ChemBioDraw | Comment |
---|---|---|
Single bond | ||
Single bond | Plain | |
Single bond Down | Hashed Wedged | |
Bold | Bold bond | |
Single bond Up | Hollow Wedged | |
Coordinative bond | Dative | |
Single bond Up or Down | Wavy | |
Double bonds | ||
Double bond | Plain | |
Single or double query bond type | Tautomeric | |
Aromatic | Aromatic bond | |
Triple bond | Triple bond | |
Bond properties | ||
Query bonds | ||
Any | Any bond | |
S/D | Single or double query bond type | |
S/A | Single or aromatic query bond type | |
D/A | Double or aromatic query bond type | |
Topology | ||
Ring | Bond is in ring | |
Chain | Bond is in chain | |
Reaction center | ||
Center | The bond is a reacting center. | |
Make/Break | The bond is made or broken in the reaction | |
Change | The bond (order) has changed in the reaction | |
Make and Change | The bond is created and changed | |
Not Center | The bond is not a reacting center | |
Not modified | The bond is not modified in the reaction |
The following reaction arrows exported to CDX file format from Marvin:
Chemaxon | ChemBioDraw | Comment |
---|---|---|
Single reaction arrow type | Solid | |
Double reaction arrow type | Retrosynthetic | |
Resonance arrow type | Resonance | |
Equilibrium arrow type | Equilibrium |
Chemaxon | ChemBioDraw | Comment |
---|---|---|
Any polymer S-group type | Anypolymer (anyp) | |
Component S-group type | Component (c) | |
Copolymer S-group type | Copolymer (co) | |
Copolymer S-group type with alternating polymer S-group subtype | Copolymer, alternating (alt) | |
Copolymer S-group type with block polymer S-group subtype | Copolymer, block (blk) | |
Copolymer S-group type with random polymer S-group subtype | Copolymer, random (ran) | |
Crosslink S-group type | Crosslink (xl) | |
Generic S-group type | Generic () | |
Graft S-group type | Graft (grf) | |
Mer S-group type | Mer (mer) | |
Formulation S-group type. | Mixture, ordered (f) | |
Mixture S-group type | Mixture, unordered (mix) | |
Modification S-group type | Modification (mod) | |
Monomer S-group type | Monomer (mon) | |
Multiple group S-group type | Multiple Group (#) | |
SRU S-group type | SRU (n) | |
Repeat pattern | ||
Head-to-tail S-group connectivity | Head-to-Tail | |
Head-to-head S-group connectivity | Head-to-Head | |
Either unknown S-group connectivity | Either/Unknown | |
Flip Type | Supported |
Chemaxon | ChemBioDraw | Comment |
---|---|---|
LP atoms | Exported as graphical Lone Pairs | |
Absolute stereo | Exported as 'Abs' label |