Cannot be done.
If you are going to load both chains at the same time, and they are
logically associated, then it seems to me that they *should* be in the
same file.
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.
In case of a slightly bigger protein (170 aa) it is 26 MB compressed. And I have many 600 aa long proteins. Doubling up those files is not really nice.
And why load my reference chain 1000 times, when it is the same all the time?
Your size limitation is going to be the number of atoms that are in
memory. Your performance limitation is (basically) the number of atoms
that are rendered.
Putting it in two files:
- would not be any faster to load
- would mean that you need to keep track of twice as many files
for the aforementioned reason, I'd think it indeed would load faster... and I have to keep track of those files anyway...
Most importantly:
- it does not work today
- it is not easy to implement
I understood it does not work today, but I would like to implement the necessary code... maybe it's not that useless...
These files are too big for you to look at by hand ... Why do you care how
big they are?
Let me know if I am misunderstanding something.
Miguel
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