Re: [OpenBabel-Devel] [AMBER] PDB CONECT issues with OpenBabel 3.0 and antechamber from Elvis Martis on 2019-10-10 (Amber Archive Oct 2019)

[Koes, David]

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>
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