Version Compatibility Issues Between IJC and JChem for Linux

Hi, we are experiencing serious version incompatibility issues between IJC and JChem for Linux. Some data we use was created oldere versions of IJC that use older versions of JChem. We have newer versions of JChem installed.

We can't configure out setup to IJC users to write data to JChem tables while simultaneously ensuring that JChemWebServices works properly.

I know that you don't release versions of IJC that correspond to each exact version of JChem. If you did, however, our problem would disappear.

What do you recommend we do to resolve these issues? I've tried manually editing parameters in the JCHEMPROPERTIES table and this seems to work somewhat but does not work in all cases.

How do you recommend that we "update" our data so that functionality doesn't break when you release new versions of IJC and JChem?

We were aware of this problem and since 5.3.x we are trying to keep versions synchronized.

IJC is released for most JChem/Marvin versions except those which are just minor patch releases. And those minor patch releases should be compatible with last version used in IJC release.

IJC Release notes  shows JChem/Marvin version which is used in each IJC version.

Currently latest IJC is 5.3.4 which contains JChem 5.3.4. A new JChem patch release 5.3.5 is compatible with IJC 5.3.4.

What specific versions of JChem/IJC do you use so you see incompatibility?

Hi,

I'm am currently trying to upgrade our system to use 5.3.5 versions. I'd like to be able to synchronize ICJ and JChem exactly to avoid this whole problem.

We are currently running JChem 5.3.0.2 / 5030002

We've tried running every version of JChem from 3.0 (we have an installer for this version lying around), to the latest version, and neither of these work.

I'll let you know if I run into any issues upgrading our system.

OK. Ran into an error.

I am trying to upgrade a table from version 5020400 to 5030300. I first tried to make the upgrade between versions directly using JChem 5.3.5. This failed. I then tried to upgrade to version 5030002 using 5.3.0.2. This succeeded upgrading from 5030002 to 5030300 failed, however.

Here are the errors:

jchem@dev:~$ jcman t
                                                              Precalc.     Precalc.  Precalc.  Precalc.
    Table name                                    Version     recommended  version    status    valid
  1 FLUOROS_PUBLIC                                5030002          N
  2 FLUOROS                                       5030002          N
  3 ORGANICS_PUBLIC                               5030002          N
  4 ORGANICS                                      5030002          N
  5 PRODUCTS                                      5030002          N
jchem@dev:~$ jcman r PRODUCTS
Regenerating PRODUCTS ... Exception in thread "Thread-3" java.lang.NullPointerException
        at chemaxon.jchem.db.CacheRegistrationBase.getCacheRegistrationInfos(CacheRegistrationBase.java:82)
        at chemaxon.jchem.db.CacheRegistrationUtil.getRegisteredCacheIDs(CacheRegistrationUtil.java:156)
        at chemaxon.jchem.db.UpdateHandler.prepareStoring(UpdateHandler.java:2582)
        at chemaxon.jchem.db.UpdateHandler.saveUpdateAndGetUpdateCounter(UpdateHandler.java:2500)
        at chemaxon.jchem.db.UpdateHandler.close(UpdateHandler.java:2445)
        at chemaxon.jchem.db.Regenerator$RegenThread.run(Regenerator.java:131)
Exception in thread "Thread-2" java.lang.NullPointerException
        at chemaxon.jchem.db.CacheRegistrationBase.getCacheRegistrationInfos(CacheRegistrationBase.java:82)
        at chemaxon.jchem.db.CacheRegistrationUtil.getRegisteredCacheIDs(CacheRegistrationUtil.java:156)
        at chemaxon.jchem.db.UpdateHandler.prepareStoring(UpdateHandler.java:2582)
        at chemaxon.jchem.db.UpdateHandler.saveUpdateAndGetUpdateCounter(UpdateHandler.java:2500)
        at chemaxon.jchem.db.UpdateHandler.close(UpdateHandler.java:2445)
        at chemaxon.jchem.db.Regenerator$RegenThread.run(Regenerator.java:131)

Not very clear, I know.

Any ideas? Any suggestions for updating/regenrating tables?

OK. Sorry to bother you. I found and execute the "jchem u" command and the NullPointerException errors I was getting earlier are gone now. Still not totally sure if IJC will work with these updated/regenerated tales. I will let you know if I run into further difficulties.