Welcome to the relax Wiki.
| The community-run support site for relax, a program for the study of molecular dynamics using experimental NMR data.
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About
Input file
Could look like this
# Experiment_name Field_strength_(MHz) Tilt_angle_(rad) R2eff_(measured) R2eff_(back_calc) R2eff_errors
'R1rho' 799.777399100 1.530741 9.699126098118711 9.585976725687559 0.027663458874525
'R1rho' 799.777399100 1.544277 9.678896177797514 9.526265376687768 0.064301737965685
...
Code
<source lang="python">
import os
import sys
import numpy as np
import matplotlib.pyplot as plt
- Exit if no *.out file
if len(sys.argv) != 2:
print("You have to provide a input .out file")
sys.exit()
infile = sys.argv[1]
filename , fileext = os.path.splitext(infile)
print("Input file is: %s"%infile)
- Get index of file
with open(infile, 'r') as f:
..→
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Random screenshots
 The analysis selection wizard  Steady-state NOE analysis
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