oeb.gz reader/writer

User 2347372188

04-09-2013 04:58:31

Hello.  I was wondering if it would be possible to make an oeb.gz reader and writer.  This feature would be useful now that there is a jchem conformation generator.


-&

ChemAxon d26931946c

04-09-2013 08:00:03

Hi Steven,


I couldn't find any documentation or description of the oeb.gz format. I understand that it's generated by the OEChem toolkit, but I couldn't find any info how it looks like.


Can you provide us some example files or a place to find a description of this format?



BRs,


Peter

User 2347372188

13-09-2013 15:59:18

Thanks for looking into this functionality.  I couldn't find a description for the file format either.  I was thinking that openbabel would have it implemented but it doesn't appear to.  Please see the attached oeb.gz file.  It contains 3 compounds with up to 10 conformations each.  Please let me know if you need additional information.


-&

ChemAxon d26931946c

16-09-2013 07:21:01

Hi,


Thanks for the example file, at least we know that this is a binary format.


We'll contact OEChem for the details of the format, it's very difficult to interpret binary formats without specifications.


We'll get back to you when we've made any progress.


Best regards,


Peter