[Debichem-commits] [SCM] massXpert mass spectrometry suite: debian packaging branch, debian, updated. upstream/3.2.0-1-g5564507

[Filippo Rusconi (Debian Maintainer)]

The following commit has been merged in the debian branch:
commit b6c7650a7180fbd8858954a666265d5957eff665
Author: Filippo Rusconi (Debian Maintainer) <rusconi-debian at laposte.net>
Date:   Tue Jan 25 23:58:08 2011 +0100

    Revert the last modification for the calculation of the z fragments on proteins.

diff --git a/data/pol-chem-defs/protein-1-letter/protein-1-letter.xml b/data/pol-chem-defs/protein-1-letter/protein-1-letter.xml
index b03c3b1..97cc614 100644
--- a/data/pol-chem-defs/protein-1-letter/protein-1-letter.xml
+++ b/data/pol-chem-defs/protein-1-letter/protein-1-letter.xml
@@ -1459,7 +1459,7 @@ Licensed under the GNU GPL -->
       <fgs>
         <name>z</name>
         <end>RE</end>
-        <formula>-N1H1+H1</formula>
+        <formula>-N1H1</formula>
         <sidechaincontrib>0</sidechaincontrib>
         <comment>Typically in ECD</comment>
       </fgs>
diff --git a/data/pol-chem-defs/protein-3-letters/protein-3-letters.xml b/data/pol-chem-defs/protein-3-letters/protein-3-letters.xml
index 666f4d2..baf83b6 100644
--- a/data/pol-chem-defs/protein-3-letters/protein-3-letters.xml
+++ b/data/pol-chem-defs/protein-3-letters/protein-3-letters.xml
@@ -1392,8 +1392,8 @@ Copyright 2006,2007 Filippo Rusconi - Licensed under the GNU GPL -->
       <fgs>
         <name>z</name>
         <end>RE</end>
-        <formula>-N1H1+H1</formula>
-        <comment>Not in CID high En. frag</comment>
+        <formula>-N1H1</formula>
+        <comment>Typically in ECD</comment>
       </fgs>
       <fgs>
         <name>y</name>

-- 
massXpert mass spectrometry suite: debian packaging