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Describe the bug
I can't read pdb files and when I write geometries in pdb format visualization softwares are not able to understand it.
Is this a known issue? Is it happening only to me? Reproducable code
sisl.get_sile("SOMEGEOMETRY.pdb").read_geometry() # Failssisl.get_sile("SOMEGEOMETRY.*").read_geometry().write("test.pdb")
# Does not fail but visualization softwares do not understand it.
Here is the exact pdb geometry that I tried to load: 2pix.zip
If it is a real issue, not something that I'm missing, I would like to fix it because it is important for the blender support project :)
The text was updated successfully, but these errors were encountered:
This brings me to the next point. Since you already implemented fromASE and toASE methods in Geometry, do you think it would make sense to try to fallback to reading with ASE in case the parser is not implemented? Or this should be done by the user?
do you think it would make sense to try to fallback to reading with ASE in case the parser is not implemented?
For example, having an UnknownSile class to which filepaths without known extension would fall. And this class would have a read_geometry method as simple as:
Describe the bug
I can't read pdb files and when I write geometries in pdb format visualization softwares are not able to understand it.
Is this a known issue? Is it happening only to me?
Reproducable code
Here is the exact pdb geometry that I tried to load: 2pix.zip
If it is a real issue, not something that I'm missing, I would like to fix it because it is important for the blender support project :)
The text was updated successfully, but these errors were encountered: