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PDB file please write python script A PDB file has the follow ing format for ATOM lines: ATOM 671 N LYS A 343 0.026 33.090
PDB file
please write python script
A PDB file has the follow ing format for ATOM lines: ATOM 671 N LYS A 343 0.026 33.090 39.713 1.00 25.42 N ATOM 672 CALYS A 343 -1.152 33.540 40.437 1.00 28.99 C Find the distance between atoms #680 and #704. What are the two carbonyl vectors (C to O) for residues 343 and 344? The vector connecting two points A and B: You could try something like: atoml [carbonyl[0].split [2],intlcarbonyl[0].split0 [5]).float(carbonyl[0].split0[6])... You could import numpy (a python module): import numpy as np magnitude of v1: np.linalg.norm(vl) cross product of v1 and v2: np.cross(v1,v2) dot product of v1 and v2: np.dot(vlv2) arccos of zeta in degrees: np.degrees np.arccos(zeta)) What is the dihedral angle zeta between the carbonyl vectors of residues 343 and 344? A PDB file has the follow ing format for ATOM lines: ATOM 671 N LYS A 343 0.026 33.090 39.713 1.00 25.42 N ATOM 672 CALYS A 343 -1.152 33.540 40.437 1.00 28.99 C Find the distance between atoms #680 and #704. What are the two carbonyl vectors (C to O) for residues 343 and 344? The vector connecting two points A and B: You could try something like: atoml [carbonyl[0].split [2],intlcarbonyl[0].split0 [5]).float(carbonyl[0].split0[6])... You could import numpy (a python module): import numpy as np magnitude of v1: np.linalg.norm(vl) cross product of v1 and v2: np.cross(v1,v2) dot product of v1 and v2: np.dot(vlv2) arccos of zeta in degrees: np.degrees np.arccos(zeta)) What is the dihedral angle zeta between the carbonyl vectors of residues 343 and 344Step by Step Solution
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