User 677b9c22ff
08-03-2012 03:06:54
Hi,
java.lang.Exception: #1 Error at molecule No. 2656 Array index out of range: 7
at chemaxon.alchemist.structurechecker.StructureCheckerTask.calculate(StructureCheckerTask.java:390)
at chemaxon.alchemist.AlchemistTask$ActualTask.<init>(AlchemistTask.java:178)
at chemaxon.alchemist.AlchemistTask$1.construct(AlchemistTask.java:69)
at chemaxon.alchemist.utils.SwingWorker$2.run(SwingWorker.java:110)
at java.lang.Thread.run(Unknown Source)
---
Process completed.
Structures checked: 8534
Structures with problems: 8534
Structures fixed automatically: 0
Structures fixed manually: 0
Structures saved with errors: 0
Accepted structures: 0
Discarded structures: 8534
Overall progress: 100%
Time elapsed: 0h 2m 11s
Some of the molecules are really broken, but the Structure Checker should find those errors (potentially) otherwise I can just scroll through them manually. Source:
http://www.hmdb.ca/public/downloads/current/mcard_sdf_all.txt.gz
Cheers
Tobias