ffeatools.modules.FFEA_pdb.FFEA_pdb Class Reference

Public Member Functions

def __init__ (self, fname="", num_frames=100000)
 
def load (self, fname, num_frames=100000)
 
def load_pdb (self, fname, num_frames_to_read=100000)
 
def get_ffea_comment (self, line)
 
def write_to_text (self, frames=None, frame_rate=1)
 
def write_to_file (self, fname, frames=None, frame_rate=1)
 
def build_from_traj (self, traj, scale=1e10)
 
def clear_position_data (self)
 
def add_empty_frame (self)
 
def translate (self, trans)
 
def rotate_chains_individually (self, rot)
 
def rotate_full_system (self, rot, cent=None, findex=0)
 
def set_pos (self, pos, findex=0)
 
def reset (self)
 

Data Fields

 valid
 
 empty
 
 num_chains
 Any failure to read next line constitues the end of the frame. More...
 
 num_atoms
 
 chain
 
 num_frames
 

Constructor & Destructor Documentation

§ __init__()

def ffeatools.modules.FFEA_pdb.FFEA_pdb.__init__ (   self,
  fname = "",
  num_frames = 100000 
)

Member Function Documentation

§ add_empty_frame()

def ffeatools.modules.FFEA_pdb.FFEA_pdb.add_empty_frame (   self)

§ build_from_traj()

def ffeatools.modules.FFEA_pdb.FFEA_pdb.build_from_traj (   self,
  traj,
  scale = 1e10 
)

§ clear_position_data()

def ffeatools.modules.FFEA_pdb.FFEA_pdb.clear_position_data (   self)

§ get_ffea_comment()

def ffeatools.modules.FFEA_pdb.FFEA_pdb.get_ffea_comment (   self,
  line 
)

§ load()

def ffeatools.modules.FFEA_pdb.FFEA_pdb.load (   self,
  fname,
  num_frames = 100000 
)

§ load_pdb()

def ffeatools.modules.FFEA_pdb.FFEA_pdb.load_pdb (   self,
  fname,
  num_frames_to_read = 100000 
)

§ reset()

§ rotate_chains_individually()

def ffeatools.modules.FFEA_pdb.FFEA_pdb.rotate_chains_individually (   self,
  rot 
)

§ rotate_full_system()

def ffeatools.modules.FFEA_pdb.FFEA_pdb.rotate_full_system (   self,
  rot,
  cent = None,
  findex = 0 
)

§ set_pos()

def ffeatools.modules.FFEA_pdb.FFEA_pdb.set_pos (   self,
  pos,
  findex = 0 
)

§ translate()

§ write_to_file()

def ffeatools.modules.FFEA_pdb.FFEA_pdb.write_to_file (   self,
  fname,
  frames = None,
  frame_rate = 1 
)

§ write_to_text()

def ffeatools.modules.FFEA_pdb.FFEA_pdb.write_to_text (   self,
  frames = None,
  frame_rate = 1 
)

Field Documentation

§ chain

§ empty

§ num_atoms

§ num_chains

§ num_frames

ffeatools.modules.FFEA_pdb.FFEA_pdb.num_frames

§ valid


The documentation for this class was generated from the following file: