Marvin JS versus MarvinSketch – Comparison of Feature Sets

Feature

Marvin JS version 20.16

MarvinSketch

Atom

Atom drawing

+

+

Periodic Table

+

+

Charge

+

+

Isotope

+

+

Radical

+

+

Adding lone pairs

+

+

Automatic lone pair calculation

+

+

Enhanced stereo notation

+

+

Query atoms

+

+

Atom query properties

+

+

Bond

Bond drawing

+

+

Chemical bonds

+

+

Query bonds

+

+

Bond query properties

+

+

Setting bond thickness and length

-

+

Structure drawing features

Chain drawing

+

+

Inserting templates

+

+

Custom templates

+

+

Predefined abbreviated groups

+

+

User-defined abbreviated groups

Possible from the server side by integrator

+

Merging

+

+

Sprout drawing

+

+

Editing features

Drag, zoom, mirror, rotate in 2D

+

+

Drag, zoom, mirror, rotate in 3D

WS

+

Clean 2D

WS

+

Clean 3D

WS

+

Cut/Copy

+

+

Paste (data from the same application)

+

+

Paste (data from another application)

Mol (V2000) and MRV formats (Others: WS*)

+

Drag&Drop

WS

+

Copy/Paste as OLE

-

+

Query features

Setting absolute stereo (Chiral)

+

+

Atom lists/NOT lists

+

+

R-group labels

+

+

R-group definition

+

+

R-group logic

+

+

Link nodes

+

+

Frequency variation

+

+

Position variation bond

+

+

Homology groups

+

+

Homology group properties

-

+

Alias and pseudo atoms

+

+

Custom SMARTS properties

+

+

Advanced drawing features

Reaction drawing

+

+

Adding textbox

+

+

Electron flow arrows

+

+

Drawing S-groups

-

+

Data S-groups

Atoms, bonds, groups, fragments

+

Coordinate bond from multi-atom group

+

+

Graphical elements (circle, line, graphical arrows...)

Ellipse and rectangle

+

Picture templates

-

-

Textbox templates

-

-

Grid/Ruler/Crosshair

-

+

Alignment

-

+

Setting text fonts

-

+

Import/Export features

MRV

+

+

MDL Molfile V2000

+

+

MDL Molfile V3000

WS

+

MDL SDfile

WS

+

SMILES

WS

+

CXN SMILES

WS

+

SMARTS

WS

+

CXN Extended SMARTS

WS

+

InChi

WS

+

InChiKey, export only

WS

+

Name

WS

+

CML

WS

+

XYZ

WS

+

CXN Compressed Molfile

WS

+

CXN Compressed SDfile

WS

+

CDX

WS

+

SKC

WS

+

Image import: structures

-

with OSRA

Image import: pictures

-

-

Image export via GUI

+

+

Image export via API

+

+

Advanced structural tools and plugins

Valence check

+

+

Aromatization

+

+

Explicit hydrogen display

WS

+

Mapping (manual)

+

+

Mapping (automatic)

WS

+

Structure Checker integrated

No, but an example is available on how to integrate it.

+

Calculator Plugins integrated

-

+

Display options

Carbon label visibility

+

+

Implicit hydrogen visibility

+

+

Lone pair visibility

+

+

Atom index visibility

+

+

Using CPK colors

+

+

Structure display (wireframe, ball & stick, spacefill)

+

+

R/S and E/Z stereo notation

WS

+

3D display

WS

+

Biomolecule display

-

+

Customization

Customization via user-defined buttons for calling JS functionalities

+

-

Customization of menus, buttons, and shortcuts

No, but presets available.

+

Built-in configurations (ChemDraw-like, ISIS-like...)

-

+

WS indicates that the specific functionality needs the appropriate web service. For more information about web services, see the documentation or contact us [email protected]