Oh, it's just from what Jan, I think, proffered. That MODEL/ENDMDL
must contain the entire model, not scraps of it. Not a big deal, I think.
Maybe I read that wrong....
<http://www.rcsb.org/pdb/docs/format/pdbguide2.2/part_67.html> list uses
the following general rules:
- In the simple case that involves a few atoms or a few residues
with alternate sites, the coordinates occur one after the other in
the entry.
- In the case of a whole macromolecular chain, or significant
portion of a chain, having alternate sites, the atoms for each
alternate position are listed together. The two conformers are
delineated by MODEL/ENDMDL
<http://www.rcsb.org/pdb/docs/format/pdbguide2.2/part_68.html>
records. In this case each MODEL must represent the entire molecular
assemblage, including any heterogen group which is not necessarily
disordered. Such is the case when DNA molecules are placed in UP and
DOWN positions.
Miguel wrote:
OK, so MODEL/ENDMDL, although its use violates standard PDB format,
I must be missing something ...
Q: In what way is the PDB format being violated?
Miguel
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