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

Filippo Rusconi (Debian Maintainer) rusconi-debian at laposte.net
Thu Nov 24 21:28:20 UTC 2011


The following commit has been merged in the debian branch:
commit 002dfd485ecc138c71e982efb28fa2437a463047
Author: Filippo Rusconi (Debian Maintainer) <rusconi-debian at laposte.net>
Date:   Fri Jan 21 20:05:41 2011 +0100

    Fixed proteins' fragmentation pattern z by adding one missing proton.

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 065292c..b03c3b1 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
@@ -1459,9 +1459,9 @@ Licensed under the GNU GPL -->
       <fgs>
         <name>z</name>
         <end>RE</end>
-        <formula>-N1H1</formula>
+        <formula>-N1H1+H1</formula>
         <sidechaincontrib>0</sidechaincontrib>
-        <comment>Not in CID high En. frag</comment>
+        <comment>Typically in ECD</comment>
       </fgs>
       <fgs>
         <name>y</name>
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 cbe2d0b..666f4d2 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
@@ -1392,7 +1392,7 @@ Copyright 2006,2007 Filippo Rusconi - Licensed under the GNU GPL -->
       <fgs>
         <name>z</name>
         <end>RE</end>
-        <formula>-N1H1</formula>
+        <formula>-N1H1+H1</formula>
         <comment>Not in CID high En. frag</comment>
       </fgs>
       <fgs>

-- 
massXpert mass spectrometry suite: debian packaging



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