To start the editor press the 'Start Editor' button in the form. 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.
|In the form you can choose between different plot styles to visualize the chemical structure ('Style' option). In addition, interactive switching between the plot styles within the VRML scene is also possible when the 'Style' option is set to 'All styles' (see Example). Click on the blue ball to switch between the plot styles !|
This option, which is available only when the plot style is Ball&Stick or All Styles (Ball&Stick),
allows the measurement of the atom distances, bond angles and torsional angles. To activate
this option set the 'Measurement' checkbox to 'Yes'.
(see Example) Click
on the atoms of interest !|
The display shows the atom distance between the two last atoms selected, the bond angle of the three last atoms selected and the torsional angle of the four last atoms selected. To reset all values click on the 'Reset' button.
To mark atoms with their atom labels set the 'Atom Label' option to
If the 'Atom Property' option is set to 'Yes', various atom
properties will be add to the VRML scene. You can choose between the atomic
number, the atom symbol (see Example 1)
, the polarizability (see Example 2)
and the -charge.
Last Change: 1998-01-18, F. Oellien