MolSurf - Examples

Structure Input

Our service supports three methods of input chemical structure data:
  • Molecular editor,
  • SMILES String,
  • direct loading of structure files.
The most easiest way to create a new structure is to use the JME Molecular Editor (courtesy of Peter Ertl, Novartis).
After drawing a structure, press the 'Submit Molecule' button in the editor window and the corresponding SMILES String will be transfered to the main form. Users who are familiar with the SMILES format can also input the SMILES String by hand.
The third input possibility is useful for people with structure files on their disk. They can select their structure file by clicking the 'Browse...' button in the main frame.
JAVA Molecular Editor

Switching between Structure Styles

In the form you can choose between different plot styles to visualize the chemical structure ('Structure Style' option; capped, ball+stick, wireframe, spacefill). In addition, interactive switching between the plot styles within the VRML scene is also possible when the 'Structure Style' option is set to 'All styles' (see Example). Click on the blue ball to switch between the plot styles! Structure Style Example

Switching between Surface Styles

In the form you can also choose between different plot styles to visualize the surface ('Surface Style' option; surface, mesh, dot cloud). In addition, interactive switching between the plot styles within the VRML scene is also possible when the 'Surface Style' option is set to 'All styles' (see Example). CUse the HUD menu to switch between the plot styles! Surface Style Example


Last Change: 2001-01-30, F. Oellien