SKC Export options details

Atoms

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

Marvin ISIS/Draw
General properties
TypeSupported
Stereo ReactionSupported
Stereo EnhancedSupported (exported as Attached Data)
ChargeSupported
ValenceSupported
RadicalSupported
Isotope Supported
MapSupported
AliasSupported
PseudoSupported
SMARTSSupported
ValueSupported
Query properties
Total number of attached hydrogensSupported
Valence, Sum of bond ordersSupported
Number of connectionsSupported
Ring countNot supported by ISIS/Draw
Smallest ring sizeSupported
Ring bond countSupported
Substitution countSupported
Number of implicit hydrogensSupported
Number of explicit connectionsSupported
Unsaturated atomSupported
Atom Label
Font, styleSupported
ScaleSupported
Atom colorSupported

Bonds

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

Marvin ISIS/Draw
Bond type
SingleSupported
DoubleSupported
TripleSupported
AromaticSupported
Single UpSupported (Up)
Single DownSupported (Down)
Single Up or DownSupported (Either)
Double Cis or TransSupported (Dbl Either)
Double C/T or unspecSupported (Double)
Single or DoubleSupported (Single/Double)
Double or AromaticSupported (Double/Aromatic)
AnySupported
CoordinateSupported
Reacting center
CenterSupported
Make/BreakSupported
ChangeSupported
Make/ChangeSupported
Not CenterSupported
Topology
In RingSupported
In ChainSupported
Other
Stereo searchSupported
ThicknessSupported
ColorSupported
Crossed bondSupported

Reaction

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

Marvin ISIS/Draw
Reaction arrowSupported, some types of reaction arrows are converted to single reaction arrows
ReactantSupported
ProductSupported
AgentSupported
Multiple step reaction with graphic arrowsSupported, converted to Multiple step reaction
Reaction and R-group combinationSupported
Reaction and S-group combinationSupported

Groups

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

Marvin ISIS/Draw
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)Supported
SRU polymer(n) Label and bracket type supported, repeat pattern not yet supported
Superatom S-groupSupported
Attached dataSupported
R-groups
R-group Supported
R-LogicNot supported

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.

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