Re: [OpenBabel-Devel] hin-format upgrade

[Igor L. <ile...@uc...>]

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 
> <ope...@li... 
> <mailto:ope...@li...>> 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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