relax SVN archive

Molecular dynamics by NMR data analysis

Brought to you by: edauvergne, troelslinnet

Commit [r11043] Maximize Restore History

Fix for the generate_data.pdb() function.

The returned vectors are now rotated to the diffusion tensor frame and are rearranged to match the
PDB file residue ordering.

Authored by: bugman 2010-03-19

Browse code at this revision

Parent: [r11042]

Child: [r11044]

changed	/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.500.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.600.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.700.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.800.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.500.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.600.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.700.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.800.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.500.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.600.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.700.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.800.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/generate_data.py
changed	/1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.500.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.600.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.700.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.800.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.500.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.600.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.700.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.800.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.500.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.600.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.700.out
changed	/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.800.out

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.500.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.600.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.700.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.800.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.500.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.600.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.700.out Diff Switch to side-by-side view

relax SVN archive

Molecular dynamics by NMR data analysis

Commit [r11043] Maximize Restore History

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.500.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.600.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.700.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/NOE.800.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.500.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.600.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.700.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R1.800.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.500.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.600.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.700.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/ellipsoid/R2.800.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/generate_data.py Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.500.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.600.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.700.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/spheroid/NOE.800.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.500.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.600.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.700.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R1.800.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.500.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.600.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.700.out Diff Switch to side-by-side view

/1.3/test_suite/shared_data/diffusion_tensor/spheroid/R2.800.out Diff Switch to side-by-side view