Can't load CML files into WebStart version of Marvin

User 7188936802

28-02-2006 01:55:15

I tried to use the WebStart version of Marvin with the cml file for arginine.xml (rename to .cml) from http://www.ch.ic.ac.uk/rzepa/chimeral/resources/cml/drugs/index.html. This is supposed to be one of the reference files from the cml site. It gave me an error: 'Read error after molecule 0. Less than two atomRefs defined.' The steps I performed were select File menu, click open, and then browse to the file.





Can anyone tell me what is up?





The stack trace was


java.io.IOException: Less than two atomRefs defined


at chemaxon.marvin.modules.CmlImport.readBond(Unknown Source)


at chemaxon.marvin.modules.CmlImport.readMol00(Unknown Source)


at chemaxon.marvin.modules.CmlImport.readMol0(Unknown Source)


at chemaxon.marvin.modules.MrvImport.readDocument(Unknown Source)


at chemaxon.formats.MolImporter.readDoc(Unknown Source)


at chemaxon.marvin.View.readStream(Unknown Source)


at chemaxon.marvin.View.access$500(Unknown Source)


at chemaxon.marvin.View$ShowMoleculesThread.run(Unknown Source)

User f359e526a1

01-03-2006 18:27:44

Hello, this is a quite outdated CML1 format that is not really used and we are not supporting it.

User 7188936802

02-03-2006 05:29:25

Are there any sample CML2 files that I can learn the tool with? I tried the ones at





http://www.ch.ic.ac.uk/rzepa/chimeral/resources/cml/drugs/index.html





but apparently they are CML1 (and also missing a DTD reference).

User f359e526a1

02-03-2006 08:43:39

There are recent CML examples at http://www.xml-cml.org/dtdschema/cmlCore/EXAMPLES/ . Note some of them are very simple examples withouth <molecule> tags just to show the syntax of some other tags. These obviously can not be read either.