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From: Kurt Benkestock <kurt.benkestock@sto.pharmacia.se>
Subject: Peptide sequencing software
Date: 18 Mar 1996 07:58:01 GMT
Organization: Pharmacia-Upjohn

We are looking for software for peptide sequencing of unknows 
from product ion spectra (MS/MS). Are there any commercial or 
other software availiable?

Kurt Benkestock
Per-Olof Edlund
Pharmacia & Upjohn
Biopharmaceuticals
Structural Biochemistry
Mass spectrometry group



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From: ltaylor@peptidarus.UWaterloo.ca (Lorne Taylor)
Subject: Re: Peptide sequencing software
Organization: University of Waterloo
Date: Tue, 19 Mar 1996 18:38:15 GMT

Kurt;
	Point your WWW browser towards

	http://www.kuleuven.ac.be/rega/medchem/pepseq.html

	PEPSEQ is free  (with source code).



See J. Rozenski et al., Org. Mass Spectrom., 29 (1994) 654-658.

This computer program helps to inteprete collision induced mass spectra
(MS/MS or linked scan) of oligopeptides. The peptides may also contain
unnatural or modified amino acids. It is based on the generation of all
combinations for a given molecular mass and, by permutation, generation of
all possible fragments and comparison with experimental data. A score is
given based on the mean deviation of 'recognized peaks' with the
experimental data. Currently 2 versions of the program are downloadable : 

PEPSEQ 1.2 (15.5k) an improved version of the original program described
in the paper

PEPS 1.0 (12.8k) a quicker version, but doesn't calculate scores and
treats all data as integers

hope this helps

Lorne Taylor
Biological Mass Spec
University of Waterloo


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From: news@chaos.kulnet.kuleuven.ac.be
Subject: Re: Peptide sequencing software
Date: 22 Mar 1996 14:52:25 GMT
Organization: K.U.Leuven

A simple peptide sequencing program for MSDOS, able to interpret MS/MS 
spectra from unknown samples is available at

http://www.kuleuven.ac.be/rega/medchem/pepseq.html

and was described in Org. Mass Spectrom. 29 (1994) 654-658.


Jef.

-- 
Jef Rozenski
Rega Institute for Medical Research
K.U.Leuven
Minderbroedersstraat 10
B-3000 Leuven
Belgium

Jef.Rozenski@rega.kuleuven.ac.be


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From: "K. Murray" <kmurray@emory.edu>
Subject: Re: Peptide sequencing software
Date: 25 Mar 1996 15:01:25 GMT
Organization: Emory University


Also try Sherpa (Mac)
http://128.95.12.16/Sherpa.html

PAWS (Windows, Mac)
http://128.122.10.5/software/contents.htm

TIMS (Mac)
http://beelzebub.ethz.ch/TBres.html

MS software index pages:
http://userwww.service.emory.edu/~kmurray/mssw.html
http://mac-mann6.embl-heidelberg.de/MassSpec/Software.html
http://128.122.10.5/software/contents.htm


  Kermit K. Murray                     
  kmurray@emory.edu                    
  http://userwww.service.emory.edu/~kmurray/





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From: depauw@gw.unipc.ulg.ac.be (De Pauw Edwin)
Subject: Re: Peptide sequencing software
Date: Mon, 25 Mar 1996 18:16:37 +0100
Organization: Liege University


We are currently working on a software running on MPW fortran able to
sequence directly from ASCII files of full scans and MS/MS LSIMS and
electrospray spectra of peptides containing up to 20 residues. The
software starts working well, giving non ambiguous answers for linear
peptides. Modifies peptides can be handled, by example when trying to
locate the position of a modification. We hope to give the softare a
user-friendly aspect for JUNE 96. 

-- 
De Pauw Edwin
Mass Spectrometry Laboratory, B6
Chemistry Institute, Liege University
B4000-Liege Belgium
depauw@gw.unipc.ulg.ac.be