Roger Murphy wrote:
>> Peptide Companion, from CoshiSoft/PeptiSearch in the US will calculate
> elemental composition. As its name suggests, it's really designed for
> analysis of peptides, but I use it for proteins also. It's not free, > but is <US$100 and is a useful little tool.
Hm, quite expensive for such a simple task as searching a database of
molecules and adding the atom-types.
Even with very little programming experience one could do that with
every language in nearly no time.
I´m quite shure it should also be possible with MS Excel or any other
spreadsheet which supports simple database funtions and scripting.
In case that Peptide Companion is capable of doint more than this, it
might be worth the money (or in case that you don´t care for 100$).
Lehrstuhl fuer Biophysik
Projektgruppe Theoretische Biophysik