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running allopath without cofactors #3

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BrennicaMarlow opened this issue Feb 19, 2024 · 0 comments
Open

running allopath without cofactors #3

BrennicaMarlow opened this issue Feb 19, 2024 · 0 comments

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@BrennicaMarlow
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Hi, I am able to run all the steps in the Jupyter notebook while discarding the cofactor sections. However, when I try to run the current flow calculation on just the protein alone I get the following error. I am unsure why it is out of index when all the previous steps output an index of 298 residues.

----------Current flow analysis of protein residue-residue networks----------

similarity_map = noCHL/runs/MI_data/res_res_MI_compressed_noCHL.npy
similarity_map_diagonal = noCHL/runs/MI_data/diagonal_MI_noCHL.npy
normalize_similarity_map = False
distance_mask = ['noCHL/runs/distance_matrix_semi_bin_noCHL.txt']
auxiliary_protein_index =

source_nodes = noCHL/inputs/bs0_inds_sources.txt
sink_nodes = noCHL/inputs/inds_sinks.txt
n_chains = 1
n_cores = 7
Computing edge current flows = False
Condense output = False
out_directory = noCHL/runs/
file_end_name = noCHL

Computing current flow betweenness centrality.

-----------------------------------------------------------------------------
Reading data...
Setting diagonal of similarity map.
Setting protein contact map.
Distance mask size: 298
Running calculations.

IndexError: index 312 is out of bounds for axis 0 with size 298

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