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