Features imported from SKC files

Atom features

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

ISIS/Draw

Marvin

Comment

General properties

Type

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Isotope

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Charge

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Radical

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Valence

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Hydrogen display

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/error.png

 

Atom number

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

imported as atom map

Number position

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/error.png

 

Value

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Pseudo

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/error.png

 

Alias

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/error.png

 

Beilstein

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

(imported as Pseudo atom)

Map

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Query properties

No Implicit Hydrogens

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Imported as

'Number of implicit hydrogens=0'

Unsaturated atoms

(Unsaturated bond to atom)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Exact change[reaction]

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/error.png

 

Ring bond count

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

r* imported as rb*

Reaction stereo

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Enhanced stereo

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Prevent hydrogen substituents

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Allow these atoms

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

imported as Atom List

Prohibit these atoms

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

imported as Atom Not List

Font properties

Font, size, bold, italic

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Underline, formula

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/error.png

 

Atom color

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Bond features

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

ISIS/Draw

Marvin

Comment

Bond type

Single

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Double

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Triple

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Up

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

(Single Up)

Down

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

(Single Down)

Either

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

(Single Up or Down)

Dbl Either

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

(Double Cis or Trans)

Any

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Aromatic

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Single/Double

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

(Single or Double)

Double/Aromatic

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

(Double or Aromatic)

Single/Aromatic

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

(Single or Aromatic)

Reacting center

Center

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Make/Break

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Change

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Make/Change

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Not Center

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Topology

Ring

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Chain

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Other

Stereo search

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Thickness

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Color

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Crossed bond

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Reaction features

The following reaction features from the SKC file format are imported to Marvin as:

ISIS/Draw

Marvin

Comment

Reaction arrow

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

some types of reaction arrows are converted to single reaction arrows

Reactant

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Product

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Agent

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Multiple step reaction

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/error.png

converted to graphic arrows

Reaction and R-group combination

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Reaction and S-group combination

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Resonance

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Resonance arrow type

Equilibrium

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Equilibrium arrow type

Degree arrows

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/error.png

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)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Any polymer S-group type

Component (c)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Component S-group type

Copolymer (co)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Copolymer S-group type

Copolymer, alternating (alt)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Copolymer S-group type with alternating polymer S-group subtype

Copolymer, block (blk)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Copolymer S-group type with block polymer S-group subtype

Copolymer, random (ran)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Copolymer S-group type with random polymer S-group subtype

Crosslink (xl)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Crosslink S-group type

Generic ()

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Generic S-group type

Graft (grf)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Graft S-group type

Mer (mer)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Mer S-group type

Mixture, ordered (f)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Mixture S-group type

Mixture, unordered (mix)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Mixture S-group type

Modification (mod)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Modification S-group type

Monomer (mon)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Monomer S-group type

Multiple Group (#)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Multiple group S-group type

SRU (n)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

Label and bracket type supported, repeat pattern not yet supported

Superatom S-group

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Repeating unit with repetition ranges(e.g.2,4-6)

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Attached data

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

R-groups

R-group

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

Attachment points

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

R-Logic

images/s/en_GB/6219/97b73ca06fd2a90682d80f34d4c4c163eebdd511.89/_/images/icons/emoticons/check.png

 

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:

  • Multicenter bond,

  • Position variation bond,

  • Hydrogen bond

  • Coodination bond

  • Variable Repeat Group