Koen van der Drift
kvddrift at earthlink.net
Sun Mar 20 07:13:01 EST 2005
On Mar 20, 2005, at 6:55 AM, Anastassis Perrakis wrote:
> Although all the above 100% correct the application I suggested to
> Alex was to find a already corrected mass in the sequence. Thus the
> charge correction is not needed, the mass is coming from 8-14 peaks
> typically and then is corrected.
I guess we need to add a charge popup button, including no charge (z=0).
> What of course would be cool would be to read the scan, find the
> peaks, get the MW and correct.
> They sell such software for 12.000 Euro - believe it or not !
> I got an Excel sheet and a little c application using GSL - they took
> 30 mins each to make, but for both
> you need to type in the peaks.
> To identify peaks is trivial - I just need to get my 3-D code to 1-D
> I can prototype that in c or f77 and then let Alex slow it down by a
> factor of 50 or so ...
> Can be a fun project if I get some time.
> Do you guys have any MS tools for proteins already though ?
Not yet, I havesome code to do digesting in silico, but it is pending
on the introduction of the BCScanner class. We had some discussions
about this a few days ago. If you want, I can mail you (offline) my app
that already does some of this (using a non BioCocoa class).
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