Feature | Marvin JS version 19.24 | 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 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 example added 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* : To have this function in Marvin JS, the appropriate WebService (WS) is needed. For more information about WebServices, please, consult with the documentation or contact us support@chemaxon.com.