On Feb 2, 2006, at 5:02 p, Tamas Horvath wrote:
well.. before I run the simulation, I have a pdb file which
contains my reference structure. After md, I create another pdb
file with multiple models.
Of course I can merge the 2 files, but that would mean I would need
to copy my reference structure as separate chain to every model. In
case of a very small protein (30 aa), my multi model pdb is 3.5 MB
compressed.
hi Tamas,
are all of your models aligned to your reference structure? if so,
you could just add your reference as a separate model in your multi-
model file - no need to add it as a chain to every model. Jmol has
decent tools to manipulate models. (there are several tools available
for aligning models, for example, DeepView.)
I understood it does not work today, but I would like to implement
the necessary code... maybe it's not that useless...
hardly useless; many people will throw parties when Jmol can
manipulate multiple structures independent of each other. :-) I
think Miguel's point is that 1) this is a non-trivial task in itself,
2) it would require a lot of intense programming effort from everyone
involved, not just yourself (since it would affect so much of the
existing code); and 3) that there might be an easier way to
accomplish your goal.
regards,
tim
--
Timothy Driscoll em: [EMAIL PROTECTED]
molvisions - see. grasp. learn. ph: 919-368-2667
<http://www.molvisions.com/> im: molvisions
usa:virginia:blacksburg tx: [EMAIL PROTECTED]
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