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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/
H-bond-tidy.tar.gz
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