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Molecular dynamics by NMR data analysis

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Commit [r11028] Maximize Restore History

Fix for the internal structural object PDB writing.

The PDB format was not being followed correctly! The TER record comes after ATOM records but before
HETATM records. It is not needed if there are no ATOM records.

Authored by: bugman 2010-03-19

Browse code at this revision

Parent: [r11027]

Child: [r11029]

changed	/1.3/generic_fns/structure/internal.py
changed	/1.3/test_suite/shared_data/diffusion_tensor/uniform.pdb
changed	/1.3/test_suite/shared_data/structures/diff_tensors/ellipsoid.pdb
changed	/1.3/test_suite/shared_data/structures/diff_tensors/sphere.pdb
changed	/1.3/test_suite/shared_data/structures/diff_tensors/spheroid.pdb

relax SVN archive

Molecular dynamics by NMR data analysis

Commit [r11028] Maximize Restore History

/1.3/generic_fns/structure/internal.py Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/uniform.pdb Diff Switch to side-by-side view

/1.3/test_suite/shared_data/structures/diff_tensors/ellipsoid.pdb Diff Switch to side-by-side view

/1.3/test_suite/shared_data/structures/diff_tensors/sphere.pdb Diff Switch to side-by-side view

/1.3/test_suite/shared_data/structures/diff_tensors/spheroid.pdb Diff Switch to side-by-side view