mmtbx.hydrogens
index
/net/chevy/raid1/nat/src/cctbx_project/mmtbx/hydrogens/__init__.py

 
Package Contents
       
build_hydrogens
find
tst

 
Functions
       
count_rotatable(selections)
fit_rotatable(pdb_hierarchy, xray_structure, map_data, rotatable_h_selection)
rotatable(pdb_hierarchy, mon_lib_srv, restraints_manager, log)
General tool to identify rotatable H, such as C-O-H, C-H3, in any molecule.
run_fit_rotatable(fmodel, ref_model, angular_step, log=None, use_h_omit_map=False, map_type='2mFo-DFc')

 
Data
        division = _Feature((2, 2, 0, 'alpha', 2), (3, 0, 0, 'alpha', 0), 8192)
hydrogens_master_params_str = '\nrefine = individual riding *Auto\n .type = choi... bond distance deviation limit\n .expert_level=2\n'