Structures transition pathway ChemDraw > Instant JChem

Quote:

One of the professors with whom I collaborate already has quite a number of structures saved in ChemDraw files. Is there any way to readily import them into Instant JChem? A transition pathway would be good I suspect for quite a number of researchers. I also have a number of structures (both 2-D and 3-D) stored in CSDraw file formats. I also have some in .mol and .mol2 file formats as well.

Hi Alex,





We plan to support the import/export of the cdx and cdxml file formats from version 5.1.3 which is scheduled to be released in a month.





Cheers,





Akos

Hi Akos,





that's a good information. I am awaiting it eagerly. May I get a pre-release ?


Nov 3 we have a meeting about the installation of ChemOffice. The convert-programm babel can only read CDX.





Best regards, Hans-Ulrich

Hi Hans-Ulrich,





The implementation of the cdx import did not went so smoothly as we planned (not all features are supported yet), so we have a delay, and it will be not included in 5.1.3 (to be released next week). On the other hand, as soon as we are ready with it, we probably release 5.1.4.

Hi Akos,


thank you for your information.


It is clear for me, importing the binary cdx-format is a hard task. The modern XML-formats are much better.


Regards, Hans-Ulrich