dear all,

i made an interesting experiment this morning:

build a mol file containing only a single Carbon atom, pass it through an sd reader, calculate MW & Formula: what you will get is :

Molecule	MW	Molecular_Formula
	16.042	CH4

i was surprised by the addition of Hydrogens, but assumed that somehow all the valences were being filled (i'd prefere that to be an option btw)

i then added an explicit Remove_Hydrogens component before the calculators: the result was still the same, with MW = 16.042 and Formula = CH4

my questions:

     - does it feel right to you?

     - do you know of other cases where this kind of behaviour is observed?

     - how would you get rid of the hydrogens in order to perform the calculations on the entities that are being passed through the workflow, rather than on the objects that are perceived as molecules (and therefore on which apparently some manipulations are performed)

thanks in advance!

SCF