Features exported to SKC format
Atom features
The following atom features are exported from Marvin to the SKC file format:
|
Marvin |
ISIS/Draw |
Comment |
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General properties |
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Type |
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Stereo Reaction |
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Stereo Enhanced |
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exported as Attached Data |
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Charge |
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Valence |
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Radical |
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Isotope |
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Map |
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Alias |
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Pseudo |
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SMARTS |
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Value |
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Query properties |
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Total number of attached hydrogens |
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Valence, Sum of bond orders |
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Number of connections |
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Ring count |
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Not supported by ISIS/Draw |
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Smallest ring size |
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Ring bond count |
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Substitution count |
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Number of implicit hydrogens |
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Number of explicit connections |
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Unsaturated atom |
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Atom Label |
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Font, style |
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Scale |
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Atom color |
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Bond features
The following bond features from Marvin are exported to the SKC file format:
|
Marvin |
ISIS/Draw |
Comment |
|
Bond type |
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Single |
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Double |
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Triple |
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Aromatic |
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Single Up |
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Up |
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Single Down |
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Down |
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Single Up or Down |
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Either |
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Double Cis or Trans |
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Dbl Either |
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Double C/T or unspec |
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Double |
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Single or Double |
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Single/Double |
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Double or Aromatic |
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Double/Aromatic |
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Any |
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Coordinate |
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Reacting center |
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Center |
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Make/Break |
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Change |
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Make/Change |
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Not Center |
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Topology |
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In Ring |
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In Chain |
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Other |
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Stereo search |
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Thickness |
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Color |
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Crossed bond |
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Reaction features
The following reaction features of Marvin are exported to the SKC file format:
|
Marvin |
ISIS/Draw |
Comment |
|
Reaction arrow |
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some types of reaction arrows are converted to single reaction arrows |
|
Reactant |
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Product |
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Agent |
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Multiple step reaction with graphic arrows |
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converted to Multiple step reaction |
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Reaction and R-group combination |
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Reaction and S-group combination |
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Group features
The following groups are exported to the SKC file format as:
|
Marvin |
ISIS/Draw |
Comment |
|
S-groups |
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Anypolymer (anyp) |
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Any polymer type |
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Component (c) |
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Component type |
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Copolymer (co) |
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Copolymer type |
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Copolymer, alternating (alt) |
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Copolymer type with alternating polymer subtype |
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Copolymer, block (blk) |
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Copolymer type with block polymer subtype |
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Copolymer, random (ran) |
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Copolymer type with random polymer subtype |
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Crosslink (xl) |
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Crosslink type |
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Generic () |
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Generic type |
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Graft (grf) |
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Graft type |
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Mer (mer) |
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Mer type |
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Mixture, ordered (f) |
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Mixture type |
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Mixture, unordered (mix) |
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Mixture type |
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Modification (mod) |
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Modification type |
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Monomer (mon) |
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Monomer type |
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Multiple S-Group (#) |
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Multiple group type |
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Repeating unit with repetition ranges(e.g.2,4-6) |
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SRU polymer(n) |
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Label and bracket type supported, repeat pattern not yet supported |
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Superatom S-group |
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Attached data |
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R-groups |
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R-group |
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R-Logic |
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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.