> > > Is there a way of editing an existing molecule template to introduce
> > > links between cysteines to form disulfides? I know this can be done when
> > > first creating the new molecule but what about at a later stage?
> >
> > Not yet, but in the next version you can 'unlock' a molecule so that you
> > can change the sequence elements (linking, descriptor & CCP code) and set
> > an intra molecule link.
>
> This sounds great.
Actually, there appears to be a little problem with this...
I was getting into the coding only to find that the data model won't
actually let me change the residues of an unlocked molecule.
Now I would definitely like to change residues, as people sometimes don't
realise the exact sequence or linking status of a molecule until after
they have been assigning. Whether I achieve this by doing naughty things
with the data model (and consistency checking after) or by creating a new
molecule and swapping everything over remains to be seen, but it may take
longer than I thought...
> > Adding or removing residues, and the ability to define intra chain
> > links will appear later.
>
> I'm not sure I understand the difference between an intra chain link and
> an intra molecule link.
By intra molecule I mean specifying the links when you define the
template, within the same template. E.g. within a monomer.
By intra chain I mean between different chains in the same molecular
systems. E.g between different monomers of a dimer.
T.
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Dr Tim Stevens Email: [log in to unmask]
Department of Biochemistry [log in to unmask]
University of Cambridge Phone: +44 1223 766018 (office)
80 Tennis Court Road +44 7816 338275 (mobile)
Old Addenbrooke's Site +44 1223 364613 (home)
Cambridge CB2 1GA WWWeb: http://www.bio.cam.ac.uk/~tjs23
United Kingdom http://www.pantonia.co.uk
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