IUPAC naming

Hi





I tried to populate a new CT column (IUPAC naming) in IJC (from the forums view) but the term was not valid because of license key issues. I entered the license key via Marvin "IUPACNaming=XXXXXXXX" and it seemed to be OK there but still it didn't work in IJC - even after a restart.





IJC Development version 200610171010





Cheers/Alex

Please report the IJC version that is mentioned on the Welcome screen. As updates might have been installed this provides us with the acutal update version which is more useful than the version that was originally installed.





IUPAC naming became available in JChem 3.2.5 which was first used in the M3a update of IJC Milestone 3. If you have not updated from the original version that was installed then naming will not be available. The latest update is M3e.





If you have the latest updates then check these:





1. The chemical terms function that you should use is:


molString('name')


This is availabe in the chemical terms favourites.





2. Check the license key has been entered correctly.








If all this is correct then naming should work for you.





Tim

Hi Tim,





The release is v2.0 release 3e, I just checked again and there are no available updates.





I have checked the license.dat file in the c:\Documents and Settings\'your_user\chemaxon\ and the key is not listed there. I added and restarted and all is well





cheers/Alex

Hi,


I also have a problem, if I click on a substance within Instant-JChem and start Marvin 4.17 and then calculate the name it requires the license key (I enter the academic license) and an error occours with an exception (Index array out of bound) and then if I OK that, another error occurs:


BaseKit.install() incorrectly called from non-AWT thread.


See PDF attachement


Tobias (version 200610171010)





PS: could you make the About Dialog edit-able? Would allow copy/paste very easily.

Hi Tobias,





I suggest you enter licenses by editing the marvin license file directly.


It should be located in the chemaxon directory in your home directory and is called licenses.dat





I can't reproduce the first exception you mention, and the second one seems to be fixed in the latest version of Marvin which will be in the imminent new beta version of IJC.





Also, please note that the licensing system is currently being improved, and the problems with modal windows will also be addressed in the not too distant future.





The about dialog in IJC is improved in this next release.





Tim

Hi,


Thanks, that solved the issue.


Tobias

Hi,


I enter molString('name') and get the error message


Invalid return type: Methanamine





The Naming works from within Marvin.


version number see post above.


Tobias

Ok,


solved the problem by myself,





You have to switch to "Text" in the property dialog if you request the name, instead of Integer.


a) Maybe the field can autodetect that?


b) Maybe the error message can be corrected inf future releases?


Tobias