Download model/include/silent_tools/silentscorefile from OneScience-Group/dl_binder_design: direct link, hf CLI and curl.
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2.06 kB
| if [ $# -ne 1 ]; then | |
| echo >&2 "silentscorefile by bcov - a tool to extract a scorefile from a silentfile" | |
| echo >&2 "Usage:" | |
| echo >&2 " silentscorefile myfile.silent" | |
| echo >&2 "" | |
| echo >&2 "Note: This utility ensures that all score lines contain the same elements in" | |
| echo >&2 " the same order. If this is not the case, multiple scorefiles are produced" | |
| exit 1 | |
| fi | |
| if [[ ! -f $1 ]]; then | |
| echo >&2 "silentscorefile: File not found: $1" | |
| exit 1 | |
| fi | |
| silentassertuniquetags $1 | |
| silentname=$(basename $1 .silent) | |
| scorename=${silentname}.sc | |
| # tmp_file=$(head /dev/urandom | tr -dc A-Za-z0-9 | head -c 13) | |
| # tmp_file="tmp_${tmp_file}.tmp" | |
| types=$(grep -a description $1 | tr -d "[:blank:]" | sort | uniq) | |
| num_types=$(echo "$types" | wc -l) | |
| if [[ $num_types -eq 1 ]]; then | |
| head -n 2 $1 | grep -a description > $scorename # just in case there's no sequence line | |
| grep -a '^SCORE:' $1 | grep -a -v description >> $scorename | |
| exit 0 | |
| fi | |
| # Don't change this wording unless you change silentinjectscores | |
| echo >&2 "Warning!! Multiple scorefiles produced!!" | |
| for tp in $(echo $types); do echo >&2 $tp; done | |
| scorefiles=() | |
| has_header=() | |
| for i in $(seq 1 ${num_types}); do | |
| scorefiles+=(${silentname}${i}.sc) | |
| has_header+=('0') | |
| done | |
| current_file=-1 | |
| IFS=$'\n' | |
| for line in $(grep -a '^SCORE:' $1); do | |
| if $(echo "$line" | grep -a -q description); then | |
| # echo >&2 "$line" | |
| current_file=$(echo "$types" | grep -a --line-number $(echo $line | tr -d "[:blank:]" ) | cut -d ':' -f1) | |
| if [[ -z $current_file ]]; then | |
| echo >&2 "Uh oh" | |
| exit 1 | |
| fi | |
| current_file=$((current_file-1)) | |
| if [[ ${has_header[current_file]} -eq 0 ]]; then | |
| echo "$line" > ${scorefiles[current_file]} | |
| has_header[$current_file]='1' | |
| fi | |
| else | |
| # echo >&2 "$current_file" | |
| # echo >&2 "$line" | |
| # echo >&2 "${scorefiles[current_file]}" | |
| echo "$line" >> ${scorefiles[current_file]} | |
| fi | |
| done | |
| unset IFS | |