smtbx.masks
index
/net/chevy/raid1/nat/src/cctbx_project/smtbx/masks/__init__.py

 
Package Contents
       

 
Classes
       
__builtin__.object
mask
solvent_accessible_volume

 
class mask(__builtin__.object)
     Methods defined here:
__init__(self, xray_structure, observations, use_set_completion=False)
as_cif_block(self)
compute(self, solvent_radius, shrink_truncation_radius, ignore_hydrogen_atoms=False, crystal_gridding=None, grid_step=None, resolution_factor=0.25, atom_radii_table=None, use_space_group_symmetry=False)
electron_counts_per_void(self)
f_mask(self)
f_model(self, f_calc=None, epsilon=None)
f_obs(self)
modified_intensities(self)
Intensities with the solvent contribution removed.
n_solvent_grid_points(self)
n_voids(self)
show_summary(self, log=None)
structure_factors(self, max_cycles=10)
P. van der Sluis and A. L. Spek, Acta Cryst. (1990). A46, 194-201.

Data descriptors defined here:
__dict__
dictionary for instance variables (if defined)
__weakref__
list of weak references to the object (if defined)

 
class solvent_accessible_volume(__builtin__.object)
     Methods defined here:
__init__(self, xray_structure, solvent_radius, shrink_truncation_radius, ignore_hydrogen_atoms=False, crystal_gridding=None, grid_step=None, d_min=None, resolution_factor=0.25, atom_radii_table=None, use_space_group_symmetry=False)
n_solvent_grid_points(self)
n_voids(self)
show_summary(self, log=None)

Data descriptors defined here:
__dict__
dictionary for instance variables (if defined)
__weakref__
list of weak references to the object (if defined)

 
Functions
       
approx_equal_relatively(...)
approx_equal_relatively( (float)x, (float)y, (float)relative_error) -> bool :
 
    C++ signature :
        bool approx_equal_relatively(double,double,double)
 
approx_equal_relatively( (float)x, (float)y, (float)relative_error, (float)near_zero_threshold) -> bool :
 
    C++ signature :
        bool approx_equal_relatively(double,double,double,double)
 
approx_equal_relatively( (complex)x, (complex)y, (float)relative_error) -> bool :
 
    C++ signature :
        bool approx_equal_relatively(std::complex<double>,std::complex<double>,double)
 
approx_equal_relatively( (complex)x, (complex)y, (float)relative_error, (float)near_zero_threshold) -> bool :
 
    C++ signature :
        bool approx_equal_relatively(std::complex<double>,std::complex<double>,double,double)
modified_intensities(observations, f_model, f_mask)
Subtracts the solvent contribution from the observed structure
factors to obtain modified structure factors, suitable for refinement
with other refinement programs such as ShelXL

 
Data
        division = _Feature((2, 2, 0, 'alpha', 2), (3, 0, 0, 'alpha', 0), 8192)