Closed hippolytej closed 3 years ago
Hi, it seems that when saving a structure to PDB format, the temperature factor does not get zero padded correctly, e.g.:
ATOM 194 O LYS A 20 34.379 53.562 37.179 1.00 53.10 O # expected ATOM 194 O LYS A 20 34.379 53.562 37.179 1.00 53.1 O # actual
import atomium model = atomium.fetch("5LXR").model print((atomium.pdb.structure_to_pdb_string((model.residue("A.7"))).split("\n")[4]))
Python 3.7.7, Macos, atomium v1.0.8
Thanks for spotting this, it should be fixed now. I'll add it to PyPI as 1.0.9 in the next few days.
For Bug Reports
Hi, it seems that when saving a structure to PDB format, the temperature factor does not get zero padded correctly, e.g.:
Example code to reproduce
Python Version/Operating System
Python 3.7.7, Macos, atomium v1.0.8