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This repository was archived by the owner on Dec 2, 2024. It is now read-only.
Identified in ptools branch "develop"
When PDB formatted data is sent to stdout using Rigidbody.print_pdb(), the resulting output is misaligned in the atomname field; the other fields are not affected.
$ grep ATOM correct_format.pdb | head -2
ATOM 2072 N ASP A 3 -1.055 53.447 37.439 1.00 82.74
ATOM 2073 CA ASP A 3 0.251 53.605 36.814 1.00 83.67
$ grep ATOM redirected_from_stdout.pdb | head -2
ATOM 2072 N ASP A 3 -1.055 53.447 37.439 1.00 82.74
ATOM 2073 CA ASP A 3 0.251 53.605 36.814 1.00 83.67
A sort-of workaround: use ptools function write_pdb(rigidbody, filename) instead of rigidbody.print_pdb()