FYI, in OpenBabel 3.0 outputting bond orders with multiple CONECT records can be disabled as an option: Write Options, e.g. -xo n Do not write duplicate CONECT records to indicate bond order o Write origin in space group label (CRYST1 section)
David Koes Assistant Professor Computational & Systems Biology University of Pittsburgh On Nov 2, 2019, at 4:34 AM, Noel O'Boyle <baoille...@gmail.com<mailto:baoille...@gmail.com>> wrote: For the record... http://archive.ambermd.org/201910/0141.html<https://nam05.safelinks.protection.outlook.com/?url=http%3A%2F%2Farchive.ambermd.org%2F201910%2F0141.html&data=02%7C01%7Cdkoes%40pitt.edu%7C8842aaa286794f3829b208d75f6f80fd%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C1%7C637082804828539939&sdata=r5%2F7b%2BUOWyWd9ULt6yn202WTALaxs7JTlBy0%2FV4nnZM%3D&reserved=0> _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net<mailto:OpenBabel-Devel@lists.sourceforge.net> https://nam05.safelinks.protection.outlook.com/?url=https%3A%2F%2Flists.sourceforge.net%2Flists%2Flistinfo%2Fopenbabel-devel&data=02%7C01%7Cdkoes%40pitt.edu%7C8842aaa286794f3829b208d75f6f80fd%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C0%7C637082804828559928&sdata=96hJe4UhlOOxkxMANJcppfl%2Bat6iyUXvvDHgK%2BBg9PE%3D&reserved=0
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