[Open Babel] Re: Feature Request #979600 Molformula Method

[Geoff H. <ge...@ge...>]

Hi there,

Sorry it took so long to get back to your feature request. For reasons 
I don't quite understand, the SourceForge tracker was not posting 
notifications to the mailing list.

If you have code you'd like to contribute to Open Babel, the easiest 
way is to post either a patch (made with "diff -c3p [oldfile] 
[newfile]) or information on your changes to the openbabel-discuss 
mailing list.

And I think we'd be glad to see some support for molecular formula 
output.

Cheers and thanks!
-Geoff

>  as far as i can see, openbabel has no method to
>  calculate a molformula, so i've written a pretty basic
>  implementation for the OBMol class. If anybody is
>  interested, how do i submit the code?
>
>  regards,
>  Ergo (lassie at iname.com ;yes, that really works :-))