write_list(file_prefix=None,
dir=None,
res_names=None,
res_nums=None,
atom1_names=None,
atom2_names=None,
w1=None,
w2=None,
data_height=None,
force=True)
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Create a Sparky .list file.
- Parameters:
file_prefix (str) - The base part of the file name without the .list extension.
dir (str or None) - The directory to place the file in.
res_names (list of str) - The residue name list for each peak entry.
res_nums (list of int) - The residue number list for each peak entry.
atom1_names (list of str) - The atom name list for w1 for each peak entry.
atom2_names (list of str) - The atom name list for w2 for each peak entry.
w1 (list of float) - The w1 chemical shift list in ppm for each peak entry.
w2 (list of float) - The w2 chemical shift list in ppm for each peak entry.
data_height (None or list of float) - The optional data height list for each peak entry.
force (bool) - A flag which if True will cause any pre-existing files to be
overwritten.
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