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failing to read PDB files generated by VMD

Open lmiq opened this issue 1 year ago • 60 comments

When trying to read this file (and other similar ones), I get:

julia> read("vmd.pdb", BioStructures.PDB)
ERROR: Two copies of the same atom have the same alternative location ID. Existing atom:
Atom N with serial 1, coordinates [-41.156, -40.019, 21.411]
New atom record to add:
AtomRecord N with serial 1501, coordinates [-42.523, -41.722, -19.881]

This is one example VMD pdb file.

vmd.pdb.zip

lmiq avatar May 24 '24 00:05 lmiq