Package rosetta :: Module PyMolLink :: Class PyMOLMover
[hide private]
[frames] | no frames]

Class PyMOLMover

source code

                          object --+            
                                   |            
                         ??.instance --+        
                                       |        
 protocols.moves._protocols_moves_.Mover --+    
                                           |    
protocols.moves._protocols_moves_.PyMolMover --+
                                               |
                                              PyMOLMover

Instance Methods [hide private]
 
__init__(self, keep_history=False, update_energy=False, energy_type=rosetta.core.scoring._core_scoring_.ScoreType.total_score, target_host='127.0.0.1', target_port=65000)
__init__( (object)arg1) -> None :
source code
 
_get_pose_name(self, pose) source code
 
_find_variable_name(target, main_vars)
Returns all variables in workspace matching target.
source code
 
_scale_list(self, input_list)
Scales an array from 0 to 255.
source code
 
_get_hex_per_residue_message(self, pose, per_residue_values, autoscale=True)
Converts a list to a hex per-residue message with appropriate residue names.
source code
 
_get_energies(self, pose, energy_type)
Returns a list of energies of type <energy_type> from the pose.
source code
 
_send_raw_energies(self, pose, energy_type, energies, autoscale=True) source code
 
_send_any(self, ptype, pose, data, size=6)
A generic message sender.
source code
 
apply(self, input_pose)
apply( (PyMolMover)arg1, (Pose)) -> None : protocols/moves/PyMolMover.hh:295
source code
 
send_structure(self, pose) source code
 
send_energy(self, input_pose, energy_type=rosetta.core.scoring._core_scoring_.ScoreType.total_score, label=False, sigs=6)
Sends cummulative energy score to PyMOL.
source code
 
send_colors(self, pose, colors={}, default_color='blue')
Colors protein, using a color dictionary as map.
source code
 
label_energy(self, input_pose, energy_type='total_score', sigs=6)
Displays <sigs> number of characters for each energy with labels on CA.
source code
 
send_hbonds(self, pose)
Sends list of hydrogen bonds and displays them in PyMOL.
source code
 
send_ss(self, pose, ss='')
Sends the DSSP assignment for pose to PyMOL and shows as a cartoon.
source code
 
send_polars(self, pose)
Colors polar residues red and nonpolar residues blue.
source code
 
send_movemap(self, pose, movemap)
Colors movable regions green and non-movable regions red.
source code
 
send_foldtree(self, pose, foldtree='')
Colors the pose by fold tree information.
source code
 
view_foldtree_diagram(self, pose, foldtree=None, scale=10, r=3)
Draws a 3-D fold tree diagram in the PyMOL viewer window.
source code
 
plot_graph(self, name, connect, x_array, y_array, z_array=False, scale=True, axis_color='blue', num=0)
Plots a list of points in PyMOL and draws axes.
source code
 
send_point(self, name, connect, x, y, z=False, rescale=True, scale=True, axis_color='blue', num=0, banner='')
Sends a point to add to a plot already drawn in PyMOL
source code

Inherited from protocols.moves._protocols_moves_.PyMolMover: __str__, clear_info, clone, create, energy_type, fresh_instance, get_additional_output, get_name, info, keep_history, last_proposal_density_ratio, parse_def, parse_my_tag, parse_state, print, pymol_name, reinitialize_for_each_job, reinitialize_for_new_input, save_state, send_RAW_Energies, send_membrane_planes, set_current_tag, set_input_pose, set_native_pose, show, test_move, update_energy, update_interval

Inherited from protocols.moves._protocols_moves_.Mover: __reduce__, assign, get_current_job, get_current_tag, get_input_pose, get_last_move_status, get_native_pose, get_self_ptr, get_self_weak_ptr, get_type, reset_status, set_current_job, set_type, type

Inherited from unreachable.instance: __new__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __subclasshook__

Static Methods [hide private]

Inherited from protocols.moves._protocols_moves_.Mover: name, register_options

Class Variables [hide private]

Inherited from protocols.moves._protocols_moves_.Mover: __instance_size__

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, keep_history=False, update_energy=False, energy_type=rosetta.core.scoring._core_scoring_.ScoreType.total_score, target_host='127.0.0.1', target_port=65000)
(Constructor)

source code 

__init__( (object)arg1) -> None :

    C++ signature :
        void __init__(_object*)

__init__( (object)arg1, (PyMolMover)other) -> None :
    cctor
    

    C++ signature :
        void __init__(_object*,protocols::moves::PyMolMover)

Overrides: object.__init__
(inherited documentation)

_find_variable_name(target, main_vars)

source code 

Returns all variables in workspace matching target.

main_vars must be globals() or vars() when called. i.e., pose = Pose(); target = pose will return matches = ['pose']

_scale_list(self, input_list)

source code 

Scales an array from 0 to 255.

Used for scaling a list of values, particularly for coloring.

_send_any(self, ptype, pose, data, size=6)

source code 

A generic message sender.

ptype tags the data with how it is to be interpreted by PyMOLPyRosettaServer.py. ptype MUST be the same on both sides -- the same here as in PyMOLPyRosettaServer.py. size sets the length of data units. size MUST be a single digit! All data[i] MUST be at least size long!

apply(self, input_pose)

source code 

apply( (PyMolMover)arg1, (Pose)) -> None :
    protocols/moves/PyMolMover.hh:295

    C++ signature :
        void apply(protocols::moves::PyMolMover {lvalue},core::pose::Pose {lvalue})

apply( (PyMolMover)arg1, (Pose)) -> None :

    C++ signature :
        void apply(PyMolMover_exposer_callback {lvalue},core::pose::Pose {lvalue})

apply( (PyMolMover)arg1, (Pose)) -> None :
    Actually our mover does not change the Pose object, so we have additional const version...
    

    C++ signature :
        void apply(protocols::moves::PyMolMover {lvalue},core::pose::Pose)

apply( (PyMolMover)arg1, (Pose)) -> None :

    C++ signature :
        void apply(PyMolMover_exposer_callback {lvalue},core::pose::Pose)

apply( (PyMolMover)arg1, (object)pmap) -> None :
    protocols/moves/Mover.hh:109

    C++ signature :
        void apply(protocols::moves::PyMolMover {lvalue},std::map<std::string, boost::shared_ptr<std::vector<boost::shared_ptr<core::pose::Pose>, std::allocator<boost::shared_ptr<core::pose::Pose> > > >, std::less<std::string>, std::allocator<std::pair<std::string const, boost::shared_ptr<std::vector<boost::shared_ptr<core::pose::Pose>, std::allocator<boost::shared_ptr<core::pose::Pose> > > > > > > {lvalue})

apply( (PyMolMover)arg1, (object)pmap) -> None :

    C++ signature :
        void apply(PyMolMover_exposer_callback {lvalue},std::map<std::string, boost::shared_ptr<std::vector<boost::shared_ptr<core::pose::Pose>, std::allocator<boost::shared_ptr<core::pose::Pose> > > >, std::less<std::string>, std::allocator<std::pair<std::string const, boost::shared_ptr<std::vector<boost::shared_ptr<core::pose::Pose>, std::allocator<boost::shared_ptr<core::pose::Pose> > > > > > > {lvalue})

Overrides: protocols.moves._protocols_moves_.Mover.apply
(inherited documentation)

send_energy(self, input_pose, energy_type=rosetta.core.scoring._core_scoring_.ScoreType.total_score, label=False, sigs=6)

source code 

Sends cummulative energy score to PyMOL.

This method will color a pose in PyMOL based on relative residue
energies.  <energy_type> is a string representation of a specific
scoring component.
The <label> option displays <sigs> number of characters for each energy
with labels on the CA of each residue.

Examples:
    pymol.send_energy(pose, 'fa_atr')
    pymol.send_energy(pose, label=True)

Overrides: protocols.moves._protocols_moves_.PyMolMover.send_energy

send_colors(self, pose, colors={}, default_color='blue')

source code 

Colors protein, using a color dictionary as map.

The color dictionary keys are pose residue numbers.  Colors are
strings.  The default color for any residue not in the dictionary is
"blue" but can be set to any desired color.

Examples:
    pymol.send_colors(pose)  # Colors the protein blue.

    color_map = {1:"blue", 2:"red", 5:"purple"}
    pymol.send_colors(pose, color_map)

Overrides: protocols.moves._protocols_moves_.PyMolMover.send_colors

send_hbonds(self, pose)

source code 

Sends list of hydrogen bonds and displays them in PyMOL.

Makes use of PyMOL's "distance" function.

send_ss(self, pose, ss='')

source code 

Sends the DSSP assignment for pose to PyMOL and shows as a cartoon.

Useful for when you are making moves to a pose that change secondary structure, and you wish for PyMOL to display the changes.

send_foldtree(self, pose, foldtree='')

source code 

Colors the pose by fold tree information.

Cutpoints (e.g., the C-termini of protein chains) are colored red.
Jump points are colored orange. (Unfortunately, no indication of which
jump point connects to which jump point is given at this time.)
Loops are colored an assortment of colors other than red or orange.
All other residues are colored gray.

See also:
    PyMOL_Mover.view_foldtree_diagram()

view_foldtree_diagram(self, pose, foldtree=None, scale=10, r=3)

source code 

Draws a 3-D fold tree diagram in the PyMOL viewer window.

Chains are indicated with a straight line and colored by chain.
Jumps are represented by "bridges" in unique colors that connect to the
start and stop jump points on the line, and the bridge is labeled with
start and stop residues and the jump number.
Cutpoints are represented by a white and red line bisecting the chain
and are labeled with the residue number.

See also:
    PyMOL_Mover.send_foldtree()

plot_graph(self, name, connect, x_array, y_array, z_array=False, scale=True, axis_color='blue', num=0)

source code 

Plots a list of points in PyMOL and draws axes.

name is the name of the object in PyMOL.
connect is as a color string or empty ('') for no color/connection.
scale turns aces on or off.
axis_color colors the axes.
num is the number of internal numberings on the scale.

The length of the given lists/arrays must be equal.

Example:
    pymol.plot_graph("Line", "white", [0, 1, 2, 3, 4], [0, 2, 4, 6, 8])
See also:
    PyMOL_Mover.send_point()

send_point(self, name, connect, x, y, z=False, rescale=True, scale=True, axis_color='blue', num=0, banner='')

source code 

Sends a point to add to a plot already drawn in PyMOL

Be sure to call PyMOL_Mover.send_graph() first!
Options are similar to those for PyMOL_Mover.send_graph(); see the
documentation for that method.
banner is the point label, if desired.
rescale determines if the axes are redrawn due to the additional point.

Example:
    pymol.plot_graph("Line", "white", [0, 1, 2, 3, 4], [0, 2, 4, 6, 8])
    pymol.send_point("Line", "white", 5, 10)
See also:
    PyMOL_Mover.plot_graph()