rstoolbox.components.DesignSeries.get_phi

DesignSeries.get_phi(seqID, key_residues=None)

Return the phi angle for seqID available in the container.

Parameters:
  • seqID (str) – Identifier of the sequence of interest.
  • key_residues (Union[int, list() of int, str, Selection]) – Residues of interest.
Returns:

ndarray or Series - depending on the input
Raises:
TypeError:if the data container is not DataFrame or Series.
KeyError:if there is no sequence information for chain seqID of the decoys.

Example

In [1]: from rstoolbox.io import parse_rosetta_file
   ...: import pandas as pd
   ...: pd.set_option('display.width', 1000)
   ...: pd.set_option('display.max_columns', 500)
   ...: df = parse_rosetta_file("../rstoolbox/tests/data/input_3ssepred.minisilent.gz",
   ...:                         {'dihedrals': '*'})
   ...: df.get_phi('A')
   ...: 
Out[1]: 
0    [0.0, -156.536, -115.302, -104.038, -99.1409, -91.7166, -123.998, -107.512, -107.831, 104.978, -142.989, -83.6113, -99.1291, -112.116, -154.935, -65.2774, -54.7332, -50.4983, -61.4675, -69.1325, -63.0717, -62.8753, -61.5511, -60.8874, -63.4776, -61.7874, -62.0334, -57.0411, -62.9876, -61.9903, -69.6402, -64.9593, -69.2518, -91.1634, -136.491, -75.4503, -90.8962, -177.807, -169.567, -102.207, 170.342, -92.5415, -156.183, -153.364, -126.586, -96.3256, -60.2816, -124.192, -125.706, -84.1301, 177.6, 42.575, -99.8353, -121.016, -101.276, -129.005, 177.828, 140.593, 156.81, -126.682, -161.214, -131.28, -159.555, -79.1749, -111.726, -143.159, -68.7993, -71.3342, -132.595, -73.8759, 169.895, -54.9274, -65.1605, -53.0151, -60.2024, -50.6412, -57.0012, -60.2605, -63.8302, -66.2389, -67.3535, -64.3883, -89.0356, -102.986, -66.0017, -117.474, -110.401, -156.512]   
1    [0.0, -95.4093, -80.0623, -149.368, -84.1332, -100.062, -159.782, -111.15, -127.51, -128.777, -177.205, -70.8576, -78.1343, -45.3405, 160.764, -112.736, -123.051, -69.7643, -69.6305, -69.348, -57.9641, -63.9306, -61.9727, -60.8965, -72.6543, -63.4591, -63.5451, -57.268, -63.0013, -62.9193, -66.0186, -60.6652, -65.0474, -57.1613, -123.022, -92.1071, -91.6677, -103.517, -151.027, -75.7022, 162.026, -51.0115, -136.852, -86.1932, -103.808, 118.364, -60.2816, -124.192, -140.133, -151.725, 118.617, 61.3403, -124.411, -171.165, -118.526, -129.398, -88.5019, -67.241, -129.132, -79.6595, 158.267, -117.87, -92.637, -72.5778, -89.7341, -68.2311, -132.296, -69.298, -68.4444, -73.4806, -64.3477, -62.8855, -56.8773, -59.2871, -62.1803, -58.4737, -63.4944, -66.2063, -65.7584, -61.5184, -60.5817, -57.5419, -61.8729, -65.9872, -85.2836, -79.9559, -84.3628, -148.89]     
2    [0.0, -143.452, -66.0812, -106.418, 146.415, 157.8, -149.675, -113.859, -165.217, -92.8746, 121.911, -80.2012, 94.3647, -112.444, -107.245, -81.7593, -68.9442, -58.8227, -68.1725, -58.8942, -64.3774, -61.4971, -62.3426, -62.0606, -64.249, -60.0802, -62.561, -61.62, -64.1407, -66.7484, -65.2268, -100.873, -132.065, -146.985, -142.638, 103.656, -80.0444, 87.1216, 79.8628, -90.6303, -158.003, -73.8017, -153.847, -153.449, -113.012, -79.341, -60.2817, -124.193, -124.592, -51.301, 177.11, -112.332, 100.054, 143.574, -70.5238, -116.221, 122.588, -68.1083, -93.2216, -70.8308, -132.263, 101.239, -146.515, -136.42, -70.1661, -76.0523, -77.233, -63.0868, -58.3328, -61.1913, -61.9047, -64.6364, -61.4575, -58.9437, -64.7179, -66.5145, -75.2829, -133.557, -161.494, -71.411, -90.6853, -81.0075, -154.283, -74.7296, 98.4207, -142.866, -145.319, -160.103]               
3    [0.0, -94.53, -66.2435, -152.465, -89.2573, -123.417, -103.073, -117.853, -101.215, -102.488, -71.1497, 166.959, -109.776, -78.8613, -77.6039, -78.5733, -70.1839, -64.6035, -62.6622, -57.412, -60.9826, -60.3073, -63.732, -64.1987, -68.3861, -58.743, -70.8317, -67.6712, -113.024, -65.8146, -59.6927, -61.4108, -61.7076, -71.2902, -76.4105, 83.7831, -68.9975, -65.8241, -152.907, -146.378, 108.769, -73.2377, -86.1436, -132.574, -91.6338, -108.069, -60.2819, -124.193, -122.286, -37.1914, -104.15, -130.559, -96.5502, -80.7189, -141.969, -168.067, -149.772, -156.425, -138.73, -122.398, 176.91, -102.965, -84.5021, -67.8689, -66.6729, -108.07, -159.801, -69.8734, -148.457, -64.8566, -64.712, -72.4956, -62.617, -57.8631, -57.2359, -63.369, -63.386, -70.0179, -62.9427, -59.5356, -51.7306, -65.9537, -57.87, -68.9673, -66.2867, -87.3848, 60.4374, -96.8652]          
4    [0.0, -153.696, -98.6675, -70.0349, 173.209, -114.786, -71.0358, -113.135, -96.4189, -99.7753, -127.782, -79.9601, -92.0386, -95.1434, -89.4009, -61.0057, -65.4357, -66.9701, -65.1195, -62.5843, -64.0582, -59.3511, -63.3252, -62.5207, -62.162, -59.5663, -62.9279, -59.9877, -63.5153, -60.6142, -66.7236, -68.8073, -86.1888, -80.4914, -145.973, -82.4489, -88.6541, 97.3085, 171.101, 17.6116, -86.5796, -92.7902, -150.215, -167.853, -119.406, -104.008, -60.2814, -124.193, -132.578, -149.348, -135.705, 52.7083, 81.8756, -111.149, -105.119, -128.715, -153.079, -120.895, -77.2268, -167.408, 177.546, -77.8803, 174.457, -116.117, -93.8852, -96.9039, -84.9504, -63.0813, -71.1815, -67.5974, -63.8046, -63.8181, -60.6782, -61.6397, -57.4561, -65.9444, -68.1257, -70.8749, -61.9793, -57.1283, -56.7682, -61.3228, -64.3056, -69.4455, -77.8428, -93.711, -92.0642, -154.668]
5    [0.0, -90.1741, -94.8026, -116.43, -95.6185, -152.649, -74.312, -67.977, -96.8354, -119.185, -82.9089, -122.725, -65.725, -97.759, -126.48, -105.521, -62.0131, -59.1932, -58.7016, -57.583, -62.917, -64.7072, -63.7977, -64.5375, -63.1018, -63.0293, -58.3921, -57.9206, -69.0498, -81.9311, -133.804, -78.7698, -53.5842, -94.3647, -96.821, -153.874, -170.276, -142.944, -27.273, -97.8125, -69.8444, -157.042, -89.5657, -134.962, -83.1387, -134.826, -60.2816, -124.192, -124.898, -65.4761, -160.525, -85.2094, -49.7915, -110.023, -123.788, -74.6456, -149.06, -100.711, -161.54, 149.4, 156.886, 49.8164, -88.3124, -122.636, -147.919, 152.565, -57.8098, -60.8367, -60.5958, -63.2794, -64.0942, -55.5486, -61.6115, -61.0345, -65.0604, -61.1726, -60.8433, -63.4974, -63.857, -63.1861, -63.4564, -60.7668, -66.1283, -64.4802, -69.0932, -90.158, 51.8007, -113.261]           
Name: phi_A, dtype: object