Utilities for chemical calculations.
These include three programs that calculate data about entered
chemical formulae. For example, if you enter : MW NaHCO3 the formula
and molecular weight of sodium bicarbonate will appear on the screen as
NaHCO3 84.00687. This result can be sent to a comma-delimited
database file if desired.
With the solutions utility you could type SOLUTION H2NCONH2
6.5M and obtain the concentration of 6.5M urea in various units,
including 39.04 grams per 100 ml. You can also use SOLUTION to obtain
molarity from grams per litre or percent w/v.
For a peptide sequence, PEP gly-lys-trp-arg tells you that
this tetrapeptide has molecular weight 545.67 and that its pI is
approximately 8.7.
More information and goodies right here : http://publish.uwo.ca/ jkiernan/filelist.htm#HISTOFILES