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Split NMR-style multiple model pdb files into individual models: Difference between revisions
Split NMR-style multiple model pdb files into individual models (edit)
Revision as of 16:43, 15 December 2010
, 15 December 2010no edit summary
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'''awk '{if(NR%2) printf "sed -n %d,",$1+1; else printf "%dp > model_%03d.pdb\n", $1-1,NR/2;}' | ''' | '''awk '{if(NR%2) printf "sed -n %d,",$1+1; else printf "%dp > model_%03d.pdb\n", $1-1,NR/2;}' | ''' | ||
'''bash -sf''' | '''bash -sf''' | ||
== Bash script == | |||
'''i=1''' | |||
'''while read -a line; do''' | |||
''' echo "${line[@]}" >> model_${i}.pdb''' | |||
''' [[ ${line[0]} == ENDMDL ]] && ((i++))''' | |||
'''done < /path/to/file.pdb''' | |||
== Perl script == | == Perl script == | ||