Features exported to SKC format

• Atom features

• Bond features

• Reaction features

• Group features

• Graphical objects

Atom features

The following atom features are exported from Marvin to the SKC file format:

Marvin	ISIS/Draw	Comment
General properties
Type
Stereo Reaction
Stereo Enhanced		exported as Attached Data
Charge
Valence
Radical
Isotope
Map
Alias
Pseudo
SMARTS
Value
Query properties
Total number of attached hydrogens
Valence, Sum of bond orders
Number of connections
Ring count		Not supported by ISIS/Draw
Smallest ring size
Ring bond count
Substitution count
Number of implicit hydrogens
Number of explicit connections
Unsaturated atom
Atom Label
Font, style
Scale
Atom color

Bond features

The following bond features from Marvin are exported to the SKC file format:

Marvin	ISIS/Draw	Comment
Bond type
Single
Double
Triple
Aromatic
Single Up		Up
Single Down		Down
Single Up or Down		Either
Double Cis or Trans		Dbl Either
Double C/T or unspec		Double
Single or Double		Single/Double
Double or Aromatic		Double/Aromatic
Any
Coordinate
Reacting center
Center
Make/Break
Change
Make/Change
Not Center
Topology
In Ring
In Chain
Other
Stereo search
Thickness
Color
Crossed bond

Reaction features

The following reaction features of Marvin are exported to the SKC file format:

Marvin	ISIS/Draw	Comment
Reaction arrow		some types of reaction arrows are converted to single reaction arrows
Reactant
Product
Agent
Multiple step reaction with graphic arrows		converted to Multiple step reaction
Reaction and R-group combination
Reaction and S-group combination

Group features

The following groups are exported to the SKC file format as:

Marvin	ISIS/Draw	Comment
S-groups
Anypolymer (anyp)		Any polymer type
Component (c)		Component type
Copolymer (co)		Copolymer type
Copolymer, alternating (alt)		Copolymer type with alternating polymer subtype
Copolymer, block (blk)		Copolymer type with block polymer subtype
Copolymer, random (ran)		Copolymer type with random polymer subtype
Crosslink (xl)		Crosslink type
Generic ()		Generic type
Graft (grf)		Graft type
Mer (mer)		Mer type
Mixture, ordered (f)		Mixture type
Mixture, unordered (mix)		Mixture type
Modification (mod)		Modification type
Monomer (mon)		Monomer type
Multiple S-Group (#)		Multiple group type
Repeating unit with repetition ranges(e.g.2,4-6)
SRU polymer(n)		Label and bracket type supported, repeat pattern not yet supported
Superatom S-group
Attached data
R-groups
R-group
R-Logic

Note: head-to-tail with flip (ht,f) and head-to-head with flip (hh,f) attributes are not handled because they are not supported by Symyx3.1 and ISIS/Draw.

Graphical objects

Rounded rectangle, ellipse and graphical bracket objects are supported, except for the line style. Text attributes are also exported.