Frequently Asked Questions (FAQ)

  • How to calculate descriptors (task) in E-dragon (other applets)?
  • How to get calculated descriptors from the applet (E-dragon, UFS, PNN, etc.)?
  • How to save all results?


  • How to calculate descriptors (task) in E-dragon (other applets)?

    Upload your molecules by clicking upload data:
    You should see the next page:.
    If you do not see it, you will not be able to work with site (i.e., your browser has disabled pop-up windows (enable them!) or version of your browser is not compatible with our site (time to time this problem appears with Safari, IE, etc. -- use gold standard: FireFox!)

    The uploaded file will be shown in applet:
    If you uploaded SMILES, select type SMILES (or select another type):
    If you uploaded SMILES, select conversion to "CORINA" or "OMEGA" (if you have uploaded molecules in 3D, you may skip this step).
    Start calculations.
    How to get calculated descriptors from the applet?

    After calculation of your molecules, select "Results as text" choice.
    After this click on "results.txt"
    and the result file will be shown in your browser.
    N.B.! Do not forget to enable pop-up windows to see the results.

    How to save all results?

    After calculation of your molecules, click "save current task on your local computer".
    It will save all results as one file. These results can be uploaded again using "upload calculated results saved on your computer" button.
    N.B.! Do not forget to enable pop-up windows to see the results.




    Security settings


    Because of a more strict Java security policy, there is a need to manually specify VCCLAB IP to allow applets.
    Use the following procedure:
    Start -> all programs -> Java folder -> Configure Java -> Security -> Edit site list
    Add URL as shown below
    You should see them in the list of alllowed IPs as shown below.