Atom features
The following atom features from the SKC file format are imported to Marvin:
| ISIS/Draw | Marvin | Comment |
|---|---|---|
| General properties | ||
| Type |
|
|
| Isotope |  |
|
| Charge | |
|
| Radical | |
|
| Valence | |
|
| Hydrogen display |  |
|
| Atom number | |
imported as atom map |
| Number position | |
|
| Value | |
|
| Pseudo | |
|
| Alias | |
|
| Beilstein |
|
(imported as Pseudo atom) |
| Map | |
|
| Query properties | ||
| No Implicit Hydrogens | |
Imported as 'Number of implicit hydrogens=0' |
Unsaturated atoms (Unsaturated bond to atom) |
|
|
| Exact change[reaction] | |
|
| Ring bond count | |
r* imported as rb* |
| Reaction stereo | |
|
| Enhanced stereo | |
|
| Prevent hydrogen substituents | |
|
| Allow these atoms | |
imported as Atom List |
| Prohibit these atoms | |
imported as Atom Not List |
| Font properties | ||
| Font, size, bold, italic | |
|
| Underline, formula | |
|
| Atom color | |
|
Bond features
The following bond features from the SKC file format are imported to Marvin as:
| ISIS/Draw | Marvin | Comment |
|---|---|---|
| Bond type | ||
| Single | |
|
| Double | |
|
| Triple | |
|
| Up | |
(Single Up) |
| Down | |
(Single Down) |
| Either | |
(Single Up or Down) |
| Dbl Either | |
(Double Cis or Trans) |
| Any | |
|
| Aromatic | |
|
| Single/Double | |
(Single or Double) |
| Double/Aromatic | |
(Double or Aromatic) |
| Single/Aromatic | |
(Single or Aromatic) |
| Reacting center | ||
| Center | |
|
| Make/Break | |
|
| Change | |
|
| Make/Change | |
|
| Not Center | |
|
| Topology | ||
| Ring | |
|
| Chain | |
|
| Other | ||
| Stereo search | |
|
| Thickness | |
|
| Color | |
|
| Crossed bond | |
|
Reaction features
The following reaction features from the SKC file format are imported to Marvin as:
| ISIS/Draw | Marvin | Comment |
|---|---|---|
| Reaction arrow | |
some types of reaction arrows are converted to single reaction arrows |
| Reactant | |
|
| Product | |
|
| Agent | |
|
| Multiple step reaction | |
converted to graphic arrows |
| Reaction and R-group combination | |
|
| Reaction and S-group combination | |
|
| Resonance | |
Resonance arrow type |
| Equilibrium | |
Equilibrium arrow type |
| Degree arrows | |
converted to electron flows |
Note that only one reaction arrow per file is imported because Marvin does not support multistep reactions yet.
Group features
The following groups from the SKC file format are imported to Marvin as:
| ISIS/Draw | Marvin | Comment |
|---|---|---|
| S-groups | ||
| Anypolymer (anyp) | |
Any polymer S-group type |
| Component (c) | |
Component S-group type |
| Copolymer (co) | |
Copolymer S-group type |
| Copolymer, alternating (alt) | |
Copolymer S-group type with alternating polymer S-group subtype |
| Copolymer, block (blk) | |
Copolymer S-group type with block polymer S-group subtype |
| Copolymer, random (ran) | |
Copolymer S-group type with random polymer S-group subtype |
| Crosslink (xl) | |
Crosslink S-group type |
| Generic () | |
Generic S-group type |
| Graft (grf) | |
Graft S-group type |
| Mer (mer) | |
Mer S-group type |
| Mixture, ordered (f) | |
Mixture S-group type |
| Mixture, unordered (mix) | |
Mixture S-group type |
| Modification (mod) | |
Modification S-group type |
| Monomer (mon) | |
Monomer S-group type |
| Multiple Group (#) | |
Multiple group S-group type |
| SRU (n) | |
Label and bracket type supported, repeat pattern not yet supported |
| Superatom S-group | |
|
| Repeating unit with repetition ranges(e.g.2,4-6) | |
|
| Attached data | |
|
| R-groups | ||
| R-group | |
|
| Attachment points | |
|
| R-Logic | |
|
Graphical objects
All graphical objects except for graphic arc and smooth spline are supported. Line style and Polygon Fill Color are not supported. All text box attributes are imported except for Underlined.
Generic labels
All generic labels are imported to Marvin:
- Any atom (A)
- Any atom except carbon (Q)
- Any Metal (M)
- Any halogen (X)
- Any Generic
- Acyclic
- Acyclic hetero
- Acyclic alkenyl
- Acyclic Carbacyclic
- Alkoxy
- Alkyl
- Alkynyl
- Aryl
- Cyclic
- Carbocyclic
- Cycloalkenyl
- Cycloalkyl
- Heteroaryl
- Heterocyclic
- Cyclic no carbon
Attach data
Import of Data to Atom, Data to Bond, Data to Molecule and Data to Brackets is supported.
Chemistry
Import of Autoname, Link node, Create Chiral Flag and residue is supported.
Chirality
Import of CHIRAL and AND attributes is supported.
Known Issues
The import of the following features has not been implemented yet: