Ensure proper sorting of the charge column in the polymer fragmentation dialog
window.
Allow setting the charge to 0 in that same dialog window.
Implement the possibility to have float values for the atom count in formulae.
In the calculator, rewrite the isotopic pattern calculator and the spectrum generator.
Should be possible to paste in to m/z,z pair lists without drag and
dropping.
Should be possible to remove selected items from a m/z,z pair list
It should be possible to define the formula of a monomer on the basis
of distinct groups (subformulas) which bear a name so that they can
be referred to by name when defining fragmentation patterns. This
would give enormous flexibility to define real patterns amongst
monomers that fragment, like for example saying loose the side
chain, or proton loss in ribose, or oxidation in ring...
Upon fragmentation, the ionization rule should be re-read from the
XpertEdit window so that ionizations might change live. For
example, switch from negative to positive mode in mass spec of
oligonucleotides.
Fragmentation framework needs rework to include the case of negative
peptide fragmentation where b ions correspond to the loss of CO_2
until the very last monomer, which is not currently possible with
the present for loop.
The definition of the fragmentation pattern might need some variable
like "add the ionization rule".
for ( int i = 0, c = l.size(); i < c; ++i ) to optimize lists that have their
item count constant ?
Arbitrary mass search should take into account the cross-links.
When showing monomeric compositions, allow highlighting all the selected monomers into the sequence editor window.
Depending on the context, the return key should either send Find or Next in the Find sequence window.
Concept of flying modification, that would automagically apply to any oligomer hovered-on with the mouse after a 300ms delay.