subtom_weighted_average_bfactor
Joins and weights subsets of average subsets.
subtom_weighted_average_bfactor(
'all_motl_fn_prefix', all_motl_fn_prefix ('combinedmotl/allmotl'),
'ref_fn_prefix', ref_fn_prefix ('ref/ref'),
'weight_sum_fn_prefix', weight_sum_fn_prefix ('otherinputs/wei'),
'iteration', iteration (1),
'iclass', iclass (0),
'num_avg_batch', num_avg_batch (1))
Takes the num_avg_batch
parallel sum subsets with the name prefix
ref_fn_prefix
, the all_motl file with name prefix motl_fn_prefix
and
weight volume subsets with the name prefix weight_sum_fn_prefix
to generate
the final average, which should then be used as the reference for iteration
number iteration
. iclass
describes which class outside of one is
included in the final average and is used to correctly scale the average and
weights.
The difference between this function and the other version of subtom_weighted_average is that this function expects there to be a number of subsets of the average subsets, so that smaller and smaller populations of data are averaged, and these subsets can then be used to estimate the B-Factor of the structure.
Example
subtom_weighted_average_bfactor(...
'all_motl_fn_prefix', 'combinedmotl/allmotl', ...
'ref_fn_prefix', './ref/ref', ...
'weight_sum_fn_prefix', 'otherinputs/wei', ...
'iteration', 1, ...
'iclass', 0, ...
'num_avg_batch', 1)