Index of /fleming/tools/molprobity/modules/cctbx_project/cctbx/examples
Name
Last modified
Size
Description
Parent Directory
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view_fft_map.py
2023-03-18 12:21
2.6K
unit_cell_refinement.txt
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21K
unit_cell_refinement.py
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3.4K
unit_cell_minimizers.py
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9.1K
tst_structure_factor_derivatives_4.py
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10K
tst_structure_factor_derivatives_3.py
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5.7K
tst_structure_factor_derivatives_2.py
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4.7K
tst_structure_factor_derivatives.py
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3.6K
tst_space_subgroups.py
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399
tst_phase_o_phrenia.py
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1.0K
tst_g_exp_i_alpha_derivatives.py
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3.2K
tst_exp_i_alpha_derivatives.py
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3.2K
trigonal_r_vs_tetragonal_i.py
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2.0K
sys_abs_equiv_space_groups.cpp
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747
symops_530.py
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1.3K
sym_equiv_sites.cpp
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1.6K
sub_group_graph.py
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1.0K
structure_factor_derivatives_4.py
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19K
structure_factor_derivatives_3.py
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12K
structure_factor_derivatives_2.py
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7.3K
structure_factor_derivatives.py
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5.4K
structure_factor_calculus/
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steve_collins.py
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3.1K
space_subgroups.py
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3.4K
space_group_matrices.py
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416
site_symmetry_table.py
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2.6K
site_symmetry_constraints.py
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3.1K
reduced_cell_two_folds.py
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631
random_puckers.py
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6.7K
random_f_calc.py
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1.1K
quartz_structure.py
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1.7K
phase_o_phrenia.py
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2.3K
neutron_structure_factors.py
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766
miller_transform.py
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1.5K
miller_common_sets.py
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2.3K
merging/
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maximum_subgroups.py
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3.8K
map_skewness.py
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2.4K
location_part.py
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2.7K
list_non_principal_continuous_shifts.py
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802
lebedev_2005_perturbation.py
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5.4K
le_page_1982_vs_lebedev_2005.py
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2.0K
lattice_symmetry.cpp
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11K
hirshfeld_test.py
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1.2K
getting_started.py
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313
getting_started.cpp
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749
g_exp_i_partial_derivatives.py
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1.8K
g_exp_i_alpha_derivatives.py
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3.9K
find_sys_abs_equiv_space_groups.py
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3.6K
find_distances_using_cpp_objects.py
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3.1K
find_distances.cpp
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2.6K
fft_map_electron_density_around_atom.py
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4.7K
f_model_example.py
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4.4K
exp_i_alpha_derivatives.py
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2.6K
cr2o3_primitive_cell.py
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1.3K
cr2o3_consistency_checks.py
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2.4K
convert_ccp4_symop_lib.py
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1.1K
convert_ccp4_symop_lib.cpp
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1.2K
change_hand_p31.py
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2.1K
ccp4_map.py
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1.4K
analyze_adp.py
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1.4K
all_axes.py
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2.5K
adp_symmetry_constraints.py
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2.7K
__init__.py
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0
SConscript
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