Features exported to CDX¶

Atom properties¶

The atom properties are exported to CDX file format the following way:

Chemaxon	ChemBioDraw	Comment
Atomic charge
's' query property except 's*'		Substituents Exactly
's*' query property		Free Sites '*0'
'u' query property		Unsaturation
Reaction Stereo
Enhanced Stereochemistry
Radical
'h' 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' 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
Any polymer S-group type		Anypolymer (anyp)
Component S-group type		Component ©
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