mmtbx.solvent.ordered_solvent
index
/net/chevy/raid1/nat/src/cctbx_project/mmtbx/solvent/ordered_solvent.py

 
Modules
       
cctbx.adptbx
mmtbx.find_peaks
cctbx.array_family.flex
iotbx
cctbx.maptbx
math
cctbx.miller
mmtbx.refinement.minimization
mmtbx
scitbx
sys
cctbx.xray

 
Classes
       
__builtin__.object
manager

 
class manager(__builtin__.object)
     Methods defined here:
__init__(self, fmodel, fmodels, model, is_neutron_scat_table, params=<libtbx.phil.scope_extract object>, find_peaks_params=None, log=None)
add_new_solvent(self)
convert_water_adp(self)
correct_drifted_waters(self, map_cutoff)
filter_solvent(self)
find_peaks(self, map_type, map_cutoff)
find_peaks_2fofc(self)
is_water_last(self)
move_solvent_to_the_end_of_atom_list(self)
refine_adp(self)
refine_occupancies(self)
reset_solvent(self, solvent_selection, solvent_xray_structure)
show(self, message)

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

 
Functions
       
master_params()
show_histogram(data, n_slots, out=None, prefix='')

 
Data
        adp_occ_params_str = '\n new_solvent = *isotropic anisotropic\n .typ...ter\n .short_caption = Initial occupancy value\n'
division = _Feature((2, 2, 0, 'alpha', 2), (3, 0, 0, 'alpha', 0), 8192)
h_bond_params_str = '\n h_bond_min_mac = 1.8\n .type = float\n .s...on = Maximum H-bond length\n .expert_level = 1\n'
master_params_str = ' low_resolution = 2.8\n .type = float\n .he...t1 = True\n .type = bool\n .expert_level = 3\n'
output_params_str = '\n output_residue_name = HOH\n .type=str\n .... waters\n .expert_level=2\n .input_size = 50\n'