Name: Stan Kolis Email: sko...@lilly.com<mailto:sko...@lilly.com> OpenBabel Version: 2.4.1 Operating System: Windows/Jupyter Notebook
I have been trying to use the instructions at this link<https://openbabel.org/docs/dev/UseTheLibrary/Python_Pybel.html> and also in the original Chemistry Central Journal<https://ccj.springeropen.com/articles/10.1186/1752-153X-2-5> publication. I am able to convert .sdf files over to .smi files without any problem. However, when I try to convert .cdx files to .sdf or .smi files, the system crashes and I get an error in the command window that tells me that there is no 'ChemDraw Header' that pybel/openbabel is expecting to see. I have included a .cdx file that I've been using. Any chance that you guys can help me figure out what's going on? Thanks, Stan Stanley (Stan) P. Kolis Research Advisor, Small Molecule Design & Development Eli Lilly and Company Lilly Corporate Center, Indianapolis IN 46285 U.S.A. +1 317.433.3982 (office) | +1 317.494.2583 (mobile) sko...@lilly.com<mailto:sko...@lilly.com> | www.lilly.com<http://www.lilly.com/> [LillyLogo_EmailSig2.jpg] CONFIDENTIALITY NOTICE: This email message (including all attachments) is for the sole use of the intended recipient(s) and may contain confidential information. Any unauthorized review, use, disclosure, copying or distribution is strictly prohibited. If you are not the intended recipient, please contact the sender by reply email and destroy all copies of the original message.
multiNitroCompounds.cdx
Description: multiNitroCompounds.cdx
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