Registration of elements and their isotopes

User 77bcbbb206

26-07-2005 23:09:58

I'm using jchem 3.0.8, tomcat 4.1 and j2sdk 1.4.2_08

The problem I have encountered stemmed from the fact that isotopes of [Kr] had previously been registered ([78Kr], [80Kr], [82Kr], [83Kr], [84Kr], etc) into a jchem table. If the registration attempt of the element [Kr] is attempted after it's isotopes, the registration process fails. If however, the element is registered before it's isotopes, then everything works fine. If a failure occurs, there is no way to have a structure search return a valid element?

Any help would be greatly appreciated.

ChemAxon 9c0afc9aaf

27-07-2005 08:46:49

Hi,

- What previous problem are you referring to ?

(please paste a link here if it's a forum topic)

- How do your register your molecules ?

(cartridge function, jcman, API, etc.)

- What do you mean on "the registration process fails" ?

Is there any error message ?

Best regards,

Szilard

User 77bcbbb206

27-07-2005 15:47:07

Szilard,

I'm sorry, I've been trying to figure this out on my own and took part of an email and pasted it into the message area. There is no previous problem that I've been talking to ChemAxon about.

The registration process I use is through the cartridge:

v2 := jc_insert('[Kr]', 'JCHEM.STRUCTURES', 'JCHEM.JCHEMPROPERTIES', 'true', 'false');

When I say the registration process fails, I mean that the molecule is not entered into the JChem database and is therefore not searchable.

I'll attempt to explain myself a little better. Again, Sorry about that.

The following two statements complete successfully and the result is two different entries into the jchem STRUCTURES table:

v2 := jc_insert('[Kr]', 'JCHEM.STRUCTURES', 'JCHEM.JCHEMPROPERTIES', 'true', 'false');

v2 := jc_insert('[78Kr]', 'JCHEM.STRUCTURES', 'JCHEM.JCHEMPROPERTIES', 'true', 'false');

If the previous two structures are removed (basically resetting the cartridge)

The following two statements complete successfully but the result is only one entry into the jchem STRUCTURES table:

v2 := jc_insert('[78Kr]', 'JCHEM.STRUCTURES', 'JCHEM.JCHEMPROPERTIES', 'true', 'false');

v2 := jc_insert('[Kr]', 'JCHEM.STRUCTURES', 'JCHEM.JCHEMPROPERTIES', 'true', 'false');

The second example's second statement adds entries to the trace file in the udump folder of oracle stating that the element [Kr] (not it's isotope) exists and gives the cd_id of the isotope.

I hope this is clearer. Please ask if not.

Thanks,

Jim