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[XMakemol-bugs] H-bonds in XMakeMol


From: Mikael Johansson
Subject: [XMakemol-bugs] H-bonds in XMakeMol
Date: Thu, 7 Jun 2007 02:26:47 +0300 (EEST)


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/

Attachment: H-bond-tidy.tar.gz
Description: Binary data


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