Hi Yi-Shu Tu,
Here is the new pull request:
https://github.com/openbabel/openbabel/pull/2661
Best,
Igor
On 12/5/2023 11:47 PM, Yi-shu Tu wrote:
Hi Igor,
I think you may create a pull request on
https://github.com/openbabel/openbabel/pulls
<https://github.com/openbabel/openbabel/pulls>
Best regards,
Yi-Shu Tu
On Wed, Dec 6, 2023 at 1:18 PM Igor Leontyev via OpenBabel-Devel
<openbabel-devel@lists.sourceforge.net
<mailto:openbabel-devel@lists.sourceforge.net>> wrote:
Dear Open Babel Developers,
I have improved hin-format read/write routines and would like to
incorporate these changes in the next Open Babel release if possible.
How can it be done? We frequently use hin-files among collaborative
groups and enabling correct conversion to other formats is highly
desirable.
The new HIN features include parsing atomIDs (labels), comments (to
OBGenericData, OBDaataPair), partial/formal charges, and etc.
Thanks,
Igor Leontyev
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