kfuku52 / csubst

Molecular convergence detection
BSD 3-Clause "New" or "Revised" License
25 stars 1 forks source link

check csubst N_sub and S_sub to see if pyvolve's omega should be adjusted twice. #11

Closed kfuku52 closed 3 years ago

kfuku52 commented 3 years ago

csubst 10.8 Dataset = chitinase_tiny

# Run csubst simulate
csubst simulate \
--codon_table 1 \
--alignment_file alignment.fa \
--rooted_tree_file tree.nwk \
--infile_type iqtree \
--foreground foreground.txt \
--fg_stem_only yes \
--num_simulated_site 5000 \
--convergence_intensity_factor 1 \
--background_omega 0.1 \
--foreground_omega 0.1 \
--tree_scaling_factor 0.1 \
--convergent_amino_acids random0 \
--num_partition 1

# Run IQ-TREE
iqtree \
-s simulate.fa \
-te tree.nwk \
-m ECMK07 \
--seqtype CODON1 \
--threads-max 4 \
--ancestral \
--rate \
--redo

# Run csubst analyze
csubst analyze \
--codon_table 1 \
--alignment_file simulate.fa \
--rooted_tree_file tree.nwk \
--infile_type iqtree \
--max_arity 2 \
--foreground foreground.txt \
--fg_stem_only yes \
--force_exhaustive yes \
--asrv each \
--nslots 4

In csubst_b.tsv, Total S_sub = 2220.2881 Total N_sub = 220.7083

With --background_omega 1 --foreground_omega 1, Total S_sub = 1150.2343 Total N_sub = 1241.5797

With --background_omega 10 --foreground_omega 10, Total S_sub = 217.18 Total N_sub = 2173.6513

In 10.8, pyvolve's matrix is readjusted, and these results are consistent with the input omega parameters. The readjustment should be maintained.