The following atom features are exported from Marvin to the SKC file format:
Marvin | ISIS/Draw |
---|---|
General properties | |
Type | Supported |
Stereo Reaction | Supported |
Stereo Enhanced | Supported (exported as Attached Data) |
Charge | Supported |
Valence | Supported |
Radical | Supported |
Isotope | Supported |
Map | Supported |
Alias | Supported |
Pseudo | Supported |
SMARTS | Supported |
Value | Supported |
Query properties | |
Total number of attached hydrogens | Supported |
Valence, Sum of bond orders | Supported |
Number of connections | Supported |
Ring count | Not supported by ISIS/Draw |
Smallest ring size | Supported |
Ring bond count | Supported |
Substitution count | Supported |
Number of implicit hydrogens | Supported |
Number of explicit connections | Supported |
Unsaturated atom | Supported |
Atom Label | |
Font, style | Supported |
Scale | Supported |
Atom color | Supported |
The following bond features from Marvin are exported to the SKC file format:
Marvin | ISIS/Draw |
---|---|
Bond type | |
Single | Supported |
Double | Supported |
Triple | Supported |
Aromatic | Supported |
Single Up | Supported (Up) |
Single Down | Supported (Down) |
Single Up or Down | Supported (Either) |
Double Cis or Trans | Supported (Dbl Either) |
Double C/T or unspec | Supported (Double) |
Single or Double | Supported (Single/Double) |
Double or Aromatic | Supported (Double/Aromatic) |
Any | Supported |
Coordinate | Supported |
Reacting center | |
Center | Supported |
Make/Break | Supported |
Change | Supported |
Make/Change | Supported |
Not Center | Supported |
Topology | |
In Ring | Supported |
In Chain | Supported |
Other | |
Stereo search | Supported |
Thickness | Supported |
Color | Supported |
Crossed bond | Supported |
The following reaction features of Marvin are exported to the SKC file format:
Marvin | ISIS/Draw |
---|---|
Reaction arrow | Supported, some types of reaction arrows are converted to single reaction arrows |
Reactant | Supported |
Product | Supported |
Agent | Supported |
Multiple step reaction with graphic arrows | Supported, converted to Multiple step reaction |
Reaction and R-group combination | Supported |
Reaction and S-group combination | Supported |
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-group | Supported |
Attached data | Supported |
R-groups | |
R-group | Supported |
R-Logic | Not 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.
Rounded rectangle, ellipse and graphical bracket objects are supported, except for the line style. Text attributes are also exported.