[Open Babel] Adding Property to molecule and write to sd-file

In Java-API: I'm loading an sd-file, calculate a property and then I want to add that property to the molecule and write it to the output sd-file. I've seen an example for pybel but these convenience methods are not in the java api. The problem I have is associating the calculated value with the

[Open Babel] Issue when using Java API in Netbeans

After each run of a script/application the project needs to be cleaned an recompiled. If I do not recompile I get following error: /Error: Could not find or load main class Files.OpenBabel-2.3.2 Java Result: 1/ The same application runs fine outside of Netbeans. Maybe anyone knows how to solve th

Re: [Open Babel] Adding Property to molecule and write to sd-file

I just noticed that the OBMol.SetData()-method is missing in the Java API. Is there another way to achieve this? -- View this message in context: http://forums.openbabel.org/Adding-Property-to-molecule-and-write-to-sd-file-tp4656905p4656906.html Sent from the General discussion mailing list a

Re: [Open Babel] Adding Property to molecule and write to sd-file

Thanks! that worked. -- View this message in context: http://forums.openbabel.org/Adding-Property-to-molecule-and-write-to-sd-file-tp4656905p4656919.html Sent from the General discussion mailing list archive at Nabble.com. ---

[Open Babel] OBConformerSearch -> turn off logging

Hi all, when using OBConformerSearch I get a ton of logging messages and I do not see an option how to turn them off. Where Can I turn these messages off? Thank you. -- View this message in context: http://forums.openbabel.org/OBConformerSearch-turn-off-logging-tp4656922.html Sent from the Ge