#!/usr/bin/env bash # arguments: # check_mers filename check_mers() { local fasta_file="$1" local counts="$2" local mer=0 echo " counting mers in $fasta_file" # remove the counts file so we can concatenate if [[ -e "$counts"-counts ]]; then echo " removing $counts-counts" rm "$counts"-counts fi # check each mer size and process if not already run for (( mer = min_mer_range; mer <= max_mer_range; mer++)) ; do if [[ ! -e "$counts"-counts-"$mer" ]]; then echo " checking $mer mers for $fasta_file" kmer_continuous_count -c -i "$fasta_file" -k "$mer" -l -n > "$counts"-counts-"$mer" || exit 1 else echo " $mer-mers already done for $fasta_file (assuming no change)" fi # concatentate cat "$counts"-counts-"$mer" >> "$counts"-counts done } all=run # Parse in our arguments if [[ -z "$foreground" ]] && [[ -z "$background" ]]; then if (( $# < 2 )); then echo "please supply two genomes, foreground and background" exit 1 fi; : ${foreground=$1} : ${background=$2} start=3 else start=1 fi if (( $# > 2 )); then unset all for i in "${@:$start}"; do if [[ "$i" = "1" ]] || [[ "$i" = "count" ]]; then step=1; step_mers=1 fi if [[ "$i" = "2" ]] || [[ "$i" = "filter" ]]; then step=1; step_filters=1 fi if [[ "$i" = "3" ]] || [[ "$i" = "select" ]]; then step=1; step_select=1 fi if [[ "$i" = "4" ]] || [[ "$i" = "score" ]]; then step=1; step_score=1 fi if [[ $step ]] && [[ ! "$current_run" ]] && [[ ! $step_mers ]]; then echo "Error: If you are going to step through your program, and aren't starting" \ "at the first step, you better specify what previous run you want to use" \ "as your base" exit fi done; fi; if [[ -n "$step" ]] && [[ -z "$step_mers" ]] && [[ -z "$step_filters" ]] && [[ -z $step_select ]] && [[ -z "$step_score" ]]; then echo "Error: you need to select at least one step to run." exit fi echo echo "Planning on running these steps:" for var in step_mers step_filters step_select step_score all; do if [[ -n "${!var}" ]]; then echo ' '$var fi done # output directory : ${output_directory=$(basename "$foreground")_$(basename "$background")} # temp directory : ${tmp_directory="$output_directory"/.tmp} # directory to store our counts and sorted counts : ${counts_directory="$tmp_directory"} # range of mers, min and max : ${min_mer_range=6} : ${max_mer_range=12} # max mer distance, the distance between two mers in our selected outputs : ${max_mer_distance=5000} # min/maximum kmer meling point : ${max_melting_temp=30} : ${min_melting_temp=0} # minimum average binding distance in the foreground : ${min_foreground_binding_average=50000} # maximum mers to pick : ${max_select=15} # maximum mers to check : ${max_check=35} # mers to specifically IGNORE, space delimited : ${ignore_mers=''} # IGNORE all mers that are in these files, space delimited : ${ignore_all_mers_from_files} # maximum number of mers that are consecutively binding : ${max_consecutive_binding=4} # fg_weight, how much to weight to give the higher bindnig primers : ${fg_weight=0} # primer_weight, how much weight to give to sets with a higher number of primers. (between 0 and 1) : ${primer_weight=0} export ignore_mers export min_mer_range export max_mer_range export max_select export min_foreground_binding_average export max_mer_distance export max_melting_temp export min_melting_temp export fg_weight export primer_weight echo # check foreground and background if [[ ! -f "$foreground" ]]; then echo "Error: could not open $foreground" exit 1 fi if [[ ! -f "$background" ]]; then echo "Error: could not open $background" exit 1 fi if [[ -n "$current_run" ]] && [[ ! -d "$output_directory/$current_run" ]]; then echo -n "run $current_run was not found, it should be a folder here: " echo "$output_directory/$current_run" exit fi num=1 if [[ -z "$current_run" ]]; then while [[ -d $output_directory/run_$num ]] ; do let num++ done current_run=run_$num fi fg_basename=$(basename "$foreground") bg_basename=$(basename "$background") fg_counts=$counts_directory/$fg_basename-counts bg_counts=$counts_directory/$bg_basename-counts selected=$output_directory/$current_run/selected-mers average_binding=$output_directory/$current_run/$fg_basename-counts-average-binding non_melting=$output_directory/$current_run/$fg_basename-counts-non-melting consecutive_binding=$output_directory/$current_run/$fg_basename-counts-consecutive-binding # Make our output directory if [[ ! -d "$output_directory" ]]; then mkdir "$output_directory" fi # Make our counts directory if [[ ! -d "$counts_directory" ]]; then mkdir "$counts_directory" fi # Make our temporary directory if [[ ! -d $tmp_directory ]]; then mkdir "$tmp_directory" fi # Make our current run directory if [[ ! -d $output_directory/$current_run ]]; then mkdir "$output_directory"/"$current_run" fi echo "Outputting current run parameters" for var in ignore_mers min_mer_range max_mer_range max_check cpus max_consecutive_binding max_select min_foreground_binding_average max_mer_distance min_melting_temp max_melting_temp foreground background; do echo "$var" "${!var}" >> "$output_directory"/"$current_run"/parameters done; echo "current run is: $current_run" echo if [[ -n "$step_mers" ]] || [[ -n "$all" ]]; then # to continue this project you need to use the current run. echo "Step 1: counting primers in foreground and background" check_mers $foreground "$counts_directory"/$(basename "$foreground") check_mers $background "$counts_directory"/$(basename "$background") fi if [[ -n "$step_filters" ]] || [[ -n "$all" ]]; then if [[ ! -f "$fg_counts" ]]; then echo "Error: you need to run your count step before filtration" exit fi echo "Step 2: Filtering mer combinations based on parameters" # remove ignored mers if [[ "$ignore_mers" ]]; then echo " removing ignored mers: " + "$ignore_mers" for mer in $ignore_mers; do sed -i '/^'"$mer"'\t/d' "$fg_counts" done fi # remove ignored mers if [[ "$ignore_all_mers_from_files" ]]; then for ignore_file in $ignore_all_mers_from_files; do if [[ -f "$ignore_file" ]]; then echo " Removing ignored mers from: $ignore_file" counts="$counts_directory/ignore-"$(basename "$ignore_file") check_mers "$ignore_file" "$counts" while read mer_line; do mer=$(echo "$mer_line" | sed -e 's/\t.*//g') sed -i '/^'"$mer"'\t/d' "$fg_counts" done < $counts-counts else echo " $ignore_file not found, continuing..." fi done fi echo " checking if mers appear at least as often in the fg as the average binding site or more $min_foreground_binding_average" filter_average_binding.py "$foreground" "$min_foreground_binding_average" < "$fg_counts" > "$average_binding" || exit 1 echo " checking if mers are within the melting range $min_melting_temp $max_melting_temp" filter_melting_temperature.py "$min_melting_temp" "$max_melting_temp" < "$average_binding" > "$non_melting" || exit 1 echo " filtering out elements that have more consecutive binding mers than allowed by \$max_consecutive_binding $max_consecutive_binding" filter_max_consecutive_binding.py "$max_consecutive_binding" < "$non_melting" > "$consecutive_binding" || exit 1 fi if [[ -n "$step_select" ]] || [[ -n "$all" ]]; then if [[ ! -f "$consecutive_binding" ]]; then echo "Error: you need to run your filtration step before selection" exit fi echo "Step 3: Scoring mer selectivity" select_mers.py "$consecutive_binding" "$bg_counts" > "$selected" || exit 1 fi if [[ -n "$step_score" ]] || [[ -n "$all" ]]; then if [[ ! -f "$selected" ]]; then echo "Error: you need to run your selection step before you run your scoring" exit fi echo "Step 4: Scoring top mers based on selectivity" score_wrapper.sh "$selected" "$foreground" "$background" "$output_directory"/"$current_run"/scores-output || exit 1 fi