cannot expand invisible group

User 6b1e802ce9

15-07-2012 16:54:15

cannot expand invisible group
JChem version : 5.4.1.0
Component collection version : 1.8.1_j54
JVM: Sun Microsystems Inc. Java HotSpot(TM) 64-Bit Server VM 1.6.0_01
Memory: 502.0 MB maximum 502.0 MB total 339.0 MB free
OS: amd64 Linux 2.6.18-92.1.18.el5
Exception ID: E28940009
Current input structure:
No PP input structure found.
Please find detailed report in log file: "/nethome/cchung/.chemaxon/logs/pp_error_2012_07_15.txt"
java.lang.IllegalArgumentException: cannot expand invisible group
at chemaxon.struc.sgroup.SuperatomSgroup.expand(Unknown Source)
at chemaxon.marvin.io.formats.cml.MrvExport.writeSuperatomSgroup(Unknown Source)
at chemaxon.marvin.io.formats.cml.MrvExport.appendSgroup(Unknown Source)
at chemaxon.marvin.io.formats.cml.MrvExport.appendSgroup(Unknown Source)
at chemaxon.marvin.io.formats.cml.MrvExport.appendSgroup(Unknown Source)
at chemaxon.marvin.io.formats.cml.MrvExport.sgroupExtension(Unknown Source)
at chemaxon.marvin.io.formats.cml.CMLExport.appendMolecule0(Unknown Source)
at chemaxon.marvin.io.formats.cml.CMLExport.appendMolecule0(Unknown Source)
at chemaxon.marvin.io.formats.cml.CMLExport.appendMolecule(Unknown Source)
at chemaxon.marvin.io.formats.cml.MrvExport.appendChemicalStruct(Unknown Source)
at chemaxon.marvin.io.formats.cml.MrvExport.convert0(Unknown Source)
at chemaxon.marvin.io.formats.cml.MrvExport.convert(Unknown Source)
at chemaxon.struc.Molecule.exportToObject(Unknown Source)
at chemaxon.struc.Molecule.exportToObject(Unknown Source)
at chemaxon.struc.Molecule.exportToFormat(Unknown Source)
at chemaxon.struc.Molecule.toFormat(Unknown Source)
at chemaxon.pp.JChemSearch.returnNextHit(JChemSearch.java:446)
at chemaxon.pp.JChemSearch.onProcessBody(JChemSearch.java:293)
at chemaxon.pp.ChemAxonComponent.onProcess(ChemAxonComponent.java:50)
at com.scitegic.pilot.Pilot.callOnProcess(Pilot.java:300)
CComponentJavaPlugin::onProcess: Pipeline Pilot exception rethrown
-> Internal ChemAxon JChemSearch (JChemSearch) - error during Data Record Processing phase
CProtocolStd::onProcess: Pipeline Pilot exception rethrown
CProtocol::onProcess: Pipeline Pilot exception rethrown
-> JChemSearch (JChemSearch) - error during Data Record Processing phase
CProtocolStd::onProcess: Pipeline Pilot exception rethrown
CProtocol::onProcess: Pipeline Pilot exception rethrown
Protocol runQuery_ACS_subset, user cchung: Pipeline Pilot exception caught
Protocol runQuery_ACS_subset, user cchung: Protocol failed: Pipeline Pilot error
Pipeline Pilot Server version 8.0.1.500
Server OS: Linux pilot 2.6.18-92.1.18.el5 #1 SMP Wed Nov 5 09:00:19 EST 2008 x86_64 x86_64 x86_64 GNU/Linux

User 6b1e802ce9

16-07-2012 14:51:31

I have a list of smarts being queried against jc.  Two specific smarts will run half way and throw this exception.

User 6b1e802ce9

16-07-2012 15:28:09

I can send you the smarts.

ChemAxon 9c0afc9aaf

16-07-2012 22:58:12

Hi,


The exception is specific to the database molecule, not the query.


It probably originates from some past shortcoming in MRV export.


A quick Google search helped me to locate a  very similar stack trace on our forum:


https://www.chemaxon.com/forum/ftopic8266.html


According the topic that issue was fixed in 5.8.


I suggest to upgrade to the latest PP collection and the latest JChem library.


It should solve the problem - let us know otherwise.


Best regards,


Szilard