mmtbx.command_line.sort_hetatms
index
/net/chevy/raid1/nat/src/cctbx_project/mmtbx/command_line/sort_hetatms.py

# LIBTBX_SET_DISPATCHER_NAME phenix.sort_hetatms

 
Modules
       
libtbx
os
libtbx.runtime_utils
sys

 
Classes
       
__builtin__.object
sort_hetatms_result
libtbx.runtime_utils.target_with_save_result(__builtin__.object)
launcher

 
class launcher(libtbx.runtime_utils.target_with_save_result)
    
Method resolution order:
launcher
libtbx.runtime_utils.target_with_save_result
__builtin__.object

Methods defined here:
run(self)

Methods inherited from libtbx.runtime_utils.target_with_save_result:
__call__(self)
__init__(self, args, file_name, output_dir=None, log_file=None, job_title=None)

Data descriptors inherited from libtbx.runtime_utils.target_with_save_result:
__dict__
dictionary for instance variables (if defined)
__weakref__
list of weak references to the object (if defined)

 
class sort_hetatms_result(__builtin__.object)
     Methods defined here:
__init__(self, n_mm_chains, n_het_residues, pdb_hierarchy=None, file_name=None)
finish_job(self)

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

 
Functions
       
master_phil()
run(args, out=<open file '<stdout>', mode 'w'>, sorting_params=None)
sort_hetatms(pdb_hierarchy, xray_structure, params=None, verbose=False, return_pdb_hierarchy=True, log=<libtbx.utils.null_out object>)
Rearrange a PDB hierarchy so that heteroatoms are grouped with the closest
macromolecule, accounting for symmetry.  Assorted ligands will be arranged
first in each new chain, followed by waters.  See the PHIL block
sorting_params_str for options.
validate_params(params)

 
Data
        division = _Feature((2, 2, 0, 'alpha', 2), (3, 0, 0, 'alpha', 0), 8192)
master_params = '\nfile_name = None\n .type = path\n .short_captio...lude scope libtbx.phil.interface.tracking_params\n'
sorting_params_str = '\npreserve_chain_id = False\n .type = bool\n .hel...hort_caption = Loose chain ID\n .input_size = 48\n'