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Support writing multiple `AtomArray` to structure file
The pdb specification allows pdb files with multiple different models. biotite can read these files, but there is no way to write them.
You are right, this is definitely something Biotite should support. This involves not only the PDB format but all formats supported by Biotite. However, solving this issue requires quite a bunch of work, so it may take some time until I get to fix this.
Is this issue still a problem? When I try to write an AtomArrayStack to a pdb file I correctly get all models written to the file.
This issue is about writing different models in terms of different atoms per model (e.g. an additional atom), not just different coordinates. In other words the problem is that a list
of AtomArray
cannot be given to set_structure()
, although the format specification would allow it.
The issue title is a bit misleading, so I will clarify it.
This issue is about writing different models in terms of different atoms per model (e.g. an additional atom), not just different coordinates. In other words the problem is that a
list
ofAtomArray
cannot be given toset_structure()
, although the format specification would allow it.
Understood. Thanks for the clarification!