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Rosetta
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Classes | |
| class | StartUpError |
| Exceptions. More... | |
| class | PR_UDPServer |
| class | PR_PyMOLServer |
| class | XYZCoord |
| class | PlanePoints |
| class | Matrix |
| class | SecretInputDialog |
Functions | |
| def | add_vectors (v1, v2) |
| def | scalar_multiply (v, n) |
| def | normalize (normal) |
| def | rotation_matrix_radians (axis, theta) |
| def | multiply_matrix (matrix, vector) |
| def | rotate_vector (vector, theta, axis) |
| def | compute_plane_positions (center, normal, thickness, rg, npoints=4) |
| def | draw_membrane_planes (plane_points, normal_vector) |
| def | make_axis (name, ends, dr, scale=False, axis_color='', num=0) |
| Graphing methods. More... | |
| def | scale_axes (name='x_axis or y_axis or z_axis') |
| def | get_ends (data) |
| def | extract_coords (name) |
| def | make_data (name, x_array, y_array, z_array, data_color='red') |
| def | add_point (name, point, connect='', rescale=False, scale=False, axis_color='', num=0, banner='') |
| def | rescale_cartesian (data, scale, axis_color, num) |
| def | connect_points (name, color='red') |
| def | plot3d (name, x_array, y_array, z_array=[], connect='red', scale=True, axis_color='blue', num=0) |
| def | set_spectrum (low='blue', high='red') |
| PyMOL spectrum coloring. More... | |
| def | main (ip, port) |
| Main PyMOLPyRosettaServer.py routines. More... | |
| def | start_rosetta_server (ip='', port=65000) |
| def | tcp_client_main (ip, port, secret, verbose) |
| Create our own color spectrum for PyMOL. More... | |
| def | connect_to_rosetta_tcp_server (ip, port, secret, verbose=False) |
Variables | |
| _my_secret_ = None | |
| _default_relay_server_ | |
| _default_port_ | |
| bool | _terminate_ = False |
| dictionary | COLOR_LIB |
| Constants. More... | |
| dictionary | X11_COLORS |
| secret | |
| dialog = SecretInputDialog() | |
| bool | DEBUG = False |
| def PyMOL-Rosetta-relay-client.add_point | ( | name, | |
| point, | |||
connect = '', |
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rescale = False, |
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scale = False, |
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axis_color = '', |
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num = 0, |
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banner = '' |
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| ) |
Adds a point to existing data, reconnecting points optionally. Adds 'point' to 'name' and connects it with color 'connect' (empty for no connection). 'rescale' will rescale the axes; 'scale' will label the scales; 'axis_color' determines the axis color; 'num' the intermediate scales, 'banner' is a resn name at 'point'.
References rescale_cartesian(), and str().
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and PyMOL-Rosetta-relay-client.PR_PyMOLServer.process_packet().
| def PyMOL-Rosetta-relay-client.add_vectors | ( | v1, | |
| v2 | |||
| ) |
Add a pair of vectors represented as XYZcoord classes (see above)
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and compute_plane_positions().
| def PyMOL-Rosetta-relay-client.compute_plane_positions | ( | center, | |
| normal, | |||
| thickness, | |||
| rg, | |||
npoints = 4 |
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| ) |
Compute the position of the membrane planes based on provided normal, center, thickness, and radius of gyration
References add_vectors(), ObjexxFCL.len(), range, and rotate_vector().
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and PyMOL-Rosetta-relay-client.PR_PyMOLServer.process_packet().
| def PyMOL-Rosetta-relay-client.connect_points | ( | name, | |
color = 'red' |
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| ) |
Draws colored lines between consecutive points.
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and plot3d().
| def PyMOL-Rosetta-relay-client.connect_to_rosetta_tcp_server | ( | ip, | |
| port, | |||
| secret, | |||
verbose = False |
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| ) |
References pyrosetta.tests.distributed.test_dask.format, and print().
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and PyMOL-Rosetta-relay-client.SecretInputDialog.start_server().
| def PyMOL-Rosetta-relay-client.draw_membrane_planes | ( | plane_points, | |
| normal_vector | |||
| ) |
Draw CGO Planes Representing the upper & lower membrane planes Adapted from Evan Baugh's Draw Object code by Rebecca Alford to work with the framework
References normalize().
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and PyMOL-Rosetta-relay-client.PR_PyMOLServer.process_packet().
| def PyMOL-Rosetta-relay-client.extract_coords | ( | name | ) |
Returns the coords of a data container as three arrays.
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and rescale_cartesian().
| def PyMOL-Rosetta-relay-client.get_ends | ( | data | ) |
Determines the ends for axes from list. Defaults to min, max, but if not pos/neg. Determines based on closest point.
References ObjexxFCL.abs(), max(), and min().
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and rescale_cartesian().
| def PyMOL-Rosetta-relay-client.main | ( | ip, | |
| port | |||
| ) |
Main PyMOLPyRosettaServer.py routines.
References print().
| def PyMOL-Rosetta-relay-client.make_axis | ( | name, | |
| ends, | |||
| dr, | |||
scale = False, |
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axis_color = '', |
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num = 0 |
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| ) |
Graphing methods.
Make an axis 'name' from 'ends[0]' to 'ends[1]' on the 'dr' (direction). 'scale' bool tells to label axis or not; 'axis_color' determines the axis color; 'num' allows intermediate scale points.
References run_backbone.float, range, scale_axes(), and str().
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and rescale_cartesian().
| def PyMOL-Rosetta-relay-client.make_data | ( | name, | |
| x_array, | |||
| y_array, | |||
| z_array, | |||
data_color = 'red' |
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| ) |
Generate a data object from three arrays.
References ObjexxFCL.len(), range, and str().
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and plot3d().
| def PyMOL-Rosetta-relay-client.multiply_matrix | ( | matrix, | |
| vector | |||
| ) |
multiply matrix by 3D vector
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and rotate_vector().
| def PyMOL-Rosetta-relay-client.normalize | ( | normal | ) |
Ensure that the provided normal is a unit normal_vector
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and draw_membrane_planes().
| def PyMOL-Rosetta-relay-client.plot3d | ( | name, | |
| x_array, | |||
| y_array, | |||
z_array = [], |
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connect = 'red', |
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scale = True, |
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axis_color = 'blue', |
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num = 0 |
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| ) |
Default plotting tool with optional z points, connection, and axis color.
References connect_points(), ObjexxFCL.len(), make_data(), and rescale_cartesian().
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and PyMOL-Rosetta-relay-client.PR_PyMOLServer.process_packet().
| def PyMOL-Rosetta-relay-client.rescale_cartesian | ( | data, | |
| scale, | |||
| axis_color, | |||
| num | |||
| ) |
Rescales the 'data' axes (x, y, z) based on 'data' data:
'num', 'axis_color', 'scale'
References extract_coords(), get_ends(), make_axis(), and str().
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), add_point(), and plot3d().
| def PyMOL-Rosetta-relay-client.rotate_vector | ( | vector, | |
| theta, | |||
| axis | |||
| ) |
Rotate some vector about a specified axis by some angle theta
References multiply_matrix(), and rotation_matrix_radians().
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and compute_plane_positions().
| def PyMOL-Rosetta-relay-client.rotation_matrix_radians | ( | axis, | |
| theta | |||
| ) |
Compute and return the rotation matrix associated with rotation about the given axis by theta radians
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and rotate_vector().
| def PyMOL-Rosetta-relay-client.scalar_multiply | ( | v, | |
| n | |||
| ) |
Multiply a vector by some scalar factor
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__().
| def PyMOL-Rosetta-relay-client.scale_axes | ( | name = 'x_axis or y_axis or z_axis' | ) |
Labels the selection name. Used here for convenience: axis point value str in resn.
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__(), and make_axis().
| def PyMOL-Rosetta-relay-client.set_spectrum | ( | low = 'blue', |
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high = 'red' |
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| ) |
PyMOL spectrum coloring.
Sets the energy coloring spectrum using the above COLOR_LIB dictionary.
References print(), range, and x.
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__().
| def PyMOL-Rosetta-relay-client.start_rosetta_server | ( | ip = '', |
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port = 65000 |
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| ) |
| def PyMOL-Rosetta-relay-client.tcp_client_main | ( | ip | , |
| port | , | ||
| secret | , | ||
| verbose | |||
| ) |
Create our own color spectrum for PyMOL.
Main PyMOLPyRosettaServer.py routines.
Create our own color spectrum for PyMOL.
References pyrosetta.tests.distributed.test_dask.format, ObjexxFCL.len(), and print().
Referenced by PyMOL-Rosetta-relay-client.Matrix.__init__().
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private |
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private |
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private |
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private |
| dictionary PyMOL-Rosetta-relay-client.COLOR_LIB |
| bool PyMOL-Rosetta-relay-client.DEBUG = False |
Referenced by main().
| PyMOL-Rosetta-relay-client.dialog = SecretInputDialog() |
| PyMOL-Rosetta-relay-client.secret |
| dictionary PyMOL-Rosetta-relay-client.X11_COLORS |