Juhani
I assume you are talking about peptides.
While theoretically possible, I believe such a program will not be of much
practical use.
Consider a sequence: H-GKSRRVR-OH with a composition C34, H67, N17, O9
and a sequence: H-KAKMPKR-OH with a composition C37, H71, N13, O8, S1
The MW difference is 0.0039DA, a little over 4 ppm
I do not think it is possible to determine MW so accurately and reliably.
And when you go to higher MW the combinations are increasing (and the
accuracy goes down)
Lyuben
Lyuben Marekov
NIAMS, Bldg6, Room 128
Phone 301-496-7190
e-mail: marekovl@mail.nih.gov
-----Original Message-----
From: Association of Biomolecular Resource Facilities
[mailto:abrf-request@aecom.yu.edu]On Behalf Of Juhani Saarinen
Sent: Wednesday, April 26, 2000 12:08 PM
To: Recipients of ABRF List
Subject: Atomic composition calculator software
Dear All,
Does anybody know of a freely distributable PC (or Mac) program,
which would calculate an atomic composition for a measured molecular
weight?
Thank you for your concideration,
Juhani
Juhani Saarinen
Protein Chemistry Laboratory
Institute of Biotechnology
University of Helsinki, Finland
e-mail jksaarin@operoni.helsinki.fi
Phone +358-9-708 59 414
Fax +358-9-708 59 416
Street adress:
Viikinkaari 9
FIN-00014, Helsingin yliopisto
PL 56
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