H-bonds in XMakeMol

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H-bonds in XMakeMol

Mikael Johansson-3

Hello!

I tidied up the H-bond identifying code of XMakeMol a bit. Now H-bonds are
only created between hydrogens and nitrogen/oxygen/fluorine. Attached are
the modified files, compared to 5.15. If you think it's worth it, perhaps
it could be included in a possible future release.

Have a nice day,
     Mikael J.
     http://www.iki.fi/~mpjohans/
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H-bond-tidy.tar.gz (52K) Download Attachment