0.1

general/bfactor_plot.inp

0.4

0.14

0.4

0.3

general/buried_surface.inp

5.5

2.34

4.9

4.4

general/cis_peptide.inp

30.3

11.48

64.7

55.6

general/cns_to_o.inp

1.0

0.38

0.7

0.7

general/contact.inp

105.6

39.17

219.6

189.4

general/delete_atoms.inp

0.3

0.05

0.1

0.1

general/delta_phipsi.inp

2.7

0.94

4.9

4.0

general/difference_distance.inp

25.3

8

27.0

22.2

general/fractional_transform.inp

0.7

0.28

0.7

0.6

general/generate.inp

2.5

0.89

3.9

3.3

general/generate_easy.inp

42.8

15.61

84.3

71.3

general/generate_seq.inp

1.0

0.3

0.9

0.8

general/get_ncs_matrices.inp

0.6

0.22

0.4

0.3

general/hydrogen_bonds.inp

20.4

7.63

39.2

33.1

general/merge_structures.inp

1.5

0.42

1.4

1.1

general/model_anneal.inp

38.4

17.69

29.5

24.2

general/model_mask.inp

1.0

0.41

0.8

0.8

general/model_minimize.inp

8.5

3.84

6.6

5.4

general/model_rigid.inp

2.0

0.86

1.8

1.4

general/molecule_extent.inp

0.7

0.27

1.1

0.9

general/mtf_to_psf.inp

0.1

0.01

0.0

0.0

general/neighbours.inp

10.6

3.9

20.1

17.5

general/psf_to_mtf.inp

0.3

0.03

0.1

0.0

general/ramachandran.inp

2.3

0.82

4.5

3.7

general/realspace_transform.inp

1.3

0.51

1.1

1.0

general/rename_segid.inp

2.1

0.32

0.7

0.6

general/rms_fit.inp

0.1

0.04

0.1

0.0

general/rmsd.inp

0.5

0.15

0.5

0.4

general/shift_molecules.inp

92.1

34.38

162.0

139.7

general/split_structure.inp

7.2

1.98

2.8

2.4

general/surface_plot.inp

0.7

0.25

0.8

0.6

nmr_calc/accept.inp

411.0

181.60

275.6

381.7

nmr_calc/anneal.inp

3972.3

1520.820

2563.7

2216.4

nmr_calc/anneal_1.inp

1881.7

635.28

1208.4

982.9

nmr_calc/anneal_2.inp

2765.2

1032.07

2004.5

1482.3

nmr_calc/anneal_3.inp

1110.3

450.29

870.0

686.0

nmr_calc/anneal_cv.inp

10758.3

3911.98

7117.1

5429.7

nmr_calc/dg_sa.inp

1886.7

627.41

1259.0

947.5

nmr_calc/dg_sa_1.inp

334.7

171.42

680.2

333.0

nmr_calc/ensemble.inp

1289.0

457.7

917.6

818.8

nmr_calc/ensemble_1.inp

860.2

267.75

548.5

550.2

nmr_calc/ensemble_cv.inp

3827.9

1365.79

2783.8

2475.1

nmr_calc/ensemble_cv_1.inp

8660.1

2513.48

5309.9

5512.9

nmr_calc/generate_extended.inp

115.8

19.01

37.6

49.3

nmr_calc/generate_extended_1.inp

71.4

21.68

25.1

20.5

nmr_calc/pmrefine.inp

875.9

441.89

770.0

809.2

nmr_calc/pmrefine_1.inp

598.3

285.54

444.6

474.9

nmr_calc/rmsd_pm.inp

8.2

2.990

12.2

10.6

nmr_calc/rmsd_pm_1.inp

8.5

3.17

11.7

10.3

xtal_mr/cross_rotation.inp

1737.6

871.04

1434.2

1643.0

xtal_mr/cross_rotation_1.inp

541.0

175.13

544.3

393.1

xtal_mr/self_rotation.inp

65.5

21.2

67.2

50.6

xtal_mr/translation.inp

224.8

106.31

219.9

234.6

xtal_mr/translation_1.inp

971.4

493.4

868.2

983.3

xtal_mr/translation_2.inp

202.7

94.23

206.0

212.2

xtal_patterson/heavy_search.inp

413.3

283.6

364.3

xtal_patterson/patterson_map.inp

17.6

18.7

16.7

xtal_patterson/patterson_map_1.inp

20.5

20.7

18.5

xtal_patterson/patterson_refine.inp

22.7

20.7

20.6

xtal_patterson/predict_patterson.inp

1.7

1.7

1.6

xtal_phase/cns_to_sdb.inp

0.1

0.0

0.0

xtal_phase/delete_sites.inp

0.1

0.1

0.1

xtal_phase/density_modify.inp

36.2

29.6

26.8

xtal_phase/density_modify_1.inp

430.4

319.4

250.2

xtal_phase/flip_sites.inp

0.7

0.8

0.7

xtal_phase/generate_sdb.inp

0.1

0.1

0.1

xtal_phase/ir_phase.inp

97.1

68.2

81.8

xtal_phase/ir_phase_1.inp

334.2

375.6

290.1

xtal_phase/ir_phase_2.inp

175.9

120.6

151.8

xtal_phase/ir_phase_3.inp

312.6

365.1

281.4

xtal_phase/mad_bijvoet_ave.inp

15.8

16.7

15.0

xtal_phase/mad_phase.inp

2331.5

1305.0

1814.2

xtal_phase/mad_phase_1.inp

227.0

155.6

199.7

xtal_phase/mad_phase_2.inp

207.7

145.2

182.8

xtal_phase/optimize_ncsop.inp

380.5

243.6

176.0

xtal_phase/pdb_to_sdb.inp

0.1

0.1

0.1

xtal_phase/sdb_manipulate.inp

0.5

0.6

0.5

xtal_phase/sdb_split.inp

0.4

0.5

0.3

xtal_phase/sdb_to_pdb.inp

0.2

0.2

0.2

xtal_phase/sdb_to_sdb.inp

0.2

0.2

0.2

xtal_phase/shift_sites.inp

3.6

4.0

3.5

xtal_phase/solvent_mask.inp

6.8

5.6

4.8

xtal_phase/solvent_mask_1.inp

6.8

6.0

5.0

xtal_refine/anneal.inp

177.6

155.3

160.1

xtal_refine/anneal_1.inp

102.0

102.4

80.5

xtal_refine/anneal_2.inp

27.6

25.5

24.1

xtal_refine/bdomain.inp

10.3

8.6

9.9

xtal_refine/bgroup.inp

11.3

9.3

10.7

xtal_refine/bindividual.inp

11.1

9.2

10.5

xtal_refine/composite_omit_map.inp

1543.5

1423.7

1430.4

xtal_refine/fo-fo_map.inp

5.8

5.2

4.8

xtal_refine/fp_fdp_group.inp

4.4

3.8

4.1

xtal_refine/map_cover.inp

2.6

2.6

2.3

xtal_refine/minimize.inp

60.0

49.1

58.8

xtal_refine/model_map.inp

4.7

4.0

3.4

xtal_refine/model_map_1.inp

4.4

3.9

3.3

xtal_refine/model_stats.inp

18.6

24.3

21.9

xtal_refine/ncs_average_map.inp

245.3

218.7

199.0

xtal_refine/ncs_average_map_1.inp

131.7

118.0

100.8

xtal_refine/optimize_average.inp

2.1

2.0

1.7

xtal_refine/optimize_rweight.inp

43.0

34.4

41.0

xtal_refine/optimize_wa.inp

641.6

552.4

594.9

xtal_refine/qgroup.inp

4.5

3.9

4.1

xtal_refine/qindividual.inp

10.6

8.7

10.0

xtal_refine/refine.inp

52.5

50.4

46.3

xtal_refine/rigid.inp

8.2

6.9

7.8

xtal_refine/sa_omit_map.inp

49.8

44.3

43.7

xtal_refine/shift_solvent.inp

11.8

13.2

11.0

xtal_refine/water_delete.inp

5.8

4.5

4.0

xtal_refine/water_pick.inp

49.7

37.0

43.1

xtal_twin/anneal_twin.inp

3252.3

2855.5

2414.2

xtal_twin/bdomain_twin.inp

148.7

130.8

112.1

xtal_twin/bgroup_twin.inp

152.7

133.6

116.9

xtal_twin/bindividual_twin.inp

153.0

136.0

117.6

xtal_twin/detect_twinning.inp

10.2

6.8

5.8

xtal_twin/detwin_partial.inp

9.3

6.3

5.6

xtal_twin/detwin_perfect.inp

20.7

16.5

14.0

xtal_twin/make_cv_twin.inp

4.5

3.8

3.4

xtal_twin/minimize_twin.inp

921.6

822.9

703.3

xtal_twin/model_map_twin.inp

57.9

41.1

32.8

xtal_twin/model_stats_twin.inp

109.0

134.6

119.0

xtal_twin/rigid_twin.inp

109.0

97.1

84.2

xtal_twin/twin_fraction.inp

16.7

13.9

12.0

xtal_twin/water_pick_twin.inp

626.6

580.4

483.3

xtal_util/analyse.inp

53.2

40.9

35.0

xtal_util/analyse_1.inp

15.4

12.2

10.7

xtal_util/average_friedels.inp

12.7

12.9

11.7

xtal_util/average_map.inp

9.5

6.7

5.1

xtal_util/combine.inp

5.5

5.8

5.2

xtal_util/flip_friedels.inp

17.4

17.3

15.5

xtal_util/fourier_map.inp

28.7

30.9

27.9

xtal_util/fourier_map_1.inp

38.3

36.5

34.1

xtal_util/hlcoeff_blur.inp

2.1

2.1

2.0

xtal_util/make_cv.inp

1.3

1.3

1.2

xtal_util/make_hlcoeff.inp

2.1

2.1

2.0

xtal_util/manipulate.inp

13.6

13.3

11.9

xtal_util/manipulate_1.inp

15.7

14.1

12.7

xtal_util/mask_map.inp

3.6

2.8

2.3

xtal_util/matthews_coef.inp

0.5

0.5

0.5

xtal_util/merge.inp

23.0

21.6

19.2

xtal_util/merge_1.inp

23.0

21.7

19.2

xtal_util/merge_2.inp

13.5

13.5

12.0

xtal_util/model_fcalc.inp

1.1

0.9

0.8

xtal_util/model_phase.inp

2.6

2.3

2.0

xtal_util/scale.inp

25.8

21.9

21.0

xtal_util/transform_map.inp

5.9

4.0

3.0