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)

See Also