Can anyone tell me if this bug reported back in April 2009 has been
fixed:

Thermo Orbitrap RAW file is inputted into tpp -> convert to mzxml ->
convert to mgf -> run mascot -> convert to pepXML


The problem is as follows:


When I use the mascot default modification Acetyl (protein N-term),
the TPP converter that converts the mascot output .DAT file to pepXML
format creates the following header in the pepXML file:


<aminoacid_modification aminoacid=" " mass="42.010559"
massdiff="42.010559" peptide_terminus="n" variable="Y"/>
<aminoacid_modification aminoacid="N" mass="156.053486"
massdiff="42.010559" peptide_terminus="n" variable="Y"/>
<aminoacid_modification aminoacid="-" mass="42.010559"
massdiff="42.010559" peptide_terminus="n" variable="Y"/>
<aminoacid_modification aminoacid="t" mass="42.010559"
massdiff="42.010559" peptide_terminus="n" variable="Y"/>
<aminoacid_modification aminoacid="e" mass="42.010559"
massdiff="42.010559" peptide_terminus="n" variable="Y"/>
<aminoacid_modification aminoacid="r" mass="42.010559"
massdiff="42.010559" peptide_terminus="n" variable="Y"/>
<aminoacid_modification aminoacid="m" mass="42.010559"
massdiff="42.010559" peptide_terminus="n" variable="Y"/>


If you look at this header closely, the entries are not only
meaningless, but there is something funny to be seen if you look at
the aminoacid="" entries:


aminoacid=" "
aminoacid="N"
aminoacid="-"
aminoacid="t"           =  N - term
aminoacid="e"
aminoacid="r"
aminoacid="m"


as far as I know the aminoacid property should indicate aminoacid
letters and not be spelling out N-term. This is obviously a parsing
error occurring somewhere during the conversion.


Here is the link the original thread:

http://groups.google.com/group/spctools-discuss/browse_thread/thread/2537c64c225b9e65/dbd1d6677f44ea50?lnk=gst&q=aminoacid_modification#dbd1d6677f44ea50

thanks

Ron

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