sed '/^TER/d' yourFile
выполнит работу
kent$ echo "ATOM 2517 O VAL 160 8.337 12.679 -2.487
dquote> ATOM 2518 OXT VAL 160 7.646 12.461 -0.386
dquote> TER
dquote> ATOM 2519 N VAL 161 -14.431 5.789 -25.371
dquote> ATOM 2520 H1 VAL 161 -15.336 5.698 -25.811
dquote> ATOM 2521 H2 VAL 161 -13.416 10.529 17.708
dquote> ATOM 2522 H3 VAL 161 -14.363 9.436 18.498" |sed '/^TER/d'
ATOM 2517 O VAL 160 8.337 12.679 -2.487
ATOM 2518 OXT VAL 160 7.646 12.461 -0.386
ATOM 2519 N VAL 161 -14.431 5.789 -25.371
ATOM 2520 H1 VAL 161 -15.336 5.698 -25.811
ATOM 2521 H2 VAL 161 -13.416 10.529 17.708
ATOM 2522 H3 VAL 161 -14.363 9.436 18.498
обновлено на основе нового требования
см. Строку awk ниже:
kent$ cat t.txt
ATOM 2517 O VAL 160 8.337 12.679 -2.487
ATOM 2518 OXT VAL 160 7.646 12.461 -0.386
TER
ATOM 2519 N VAL 161 -14.431 5.789 -25.371
ATOM 2520 H1 VAL 161 -15.336 5.698 -25.811
ATOM 2521 H2 VAL 161 -13.416 10.529 17.708
ATOM 2522 H3 VAL 161 -14.363 9.436 18.498
kent$ awk 'NR==FNR{if ($0~/^TER/)a[NR]=1;}NR>FNR{f=0;for(x in a){if(FNR>=x-1 && FNR<=x+3){f=1;break;}}if(!f){print $0;}f=0}' t.txt t.txt
ATOM 2517 O VAL 160 8.337 12.679 -2.487
ATOM 2522 H3 VAL 161 -14.363 9.436 18.498
обновлено снова
Я надеюсь, что это последнее обновление:
awk line:
awk 'NR==FNR{if ($0~/^TER/)a[NR]=1;}NR>FNR{f=0;for(x in a){if(FNR==x-1 || FNR==x || (FNR>x+1 && FNR<=x+4)){f=1;break;}}if(!f){print $0;}f=0}' yourFile yourFile
test:
kent$ cat t.txt
ATOM 2517 O VAL 160 8.337 12.679 -2.487
ATOM 2518 OXT VAL 160 7.646 12.461 -0.386
TER
ATOM 2519 N VAL 161 -14.431 5.789 -25.371
ATOM 2520 H1 VAL 161 -15.336 5.698 -25.811
ATOM 2521 H2 VAL 161 -13.416 10.529 17.708
ATOM 2522 H3 VAL 161 -14.363 9.436 18.498
ATOM 2523 CA VAL 161 4.400 9.233 16.454
ATOM 2524 HA VAL 161 3.390 9.170 16.047
kent$ awk 'NR==FNR{if ($0~/^TER/)a[NR]=1;}NR>FNR{f=0;for(x in a){if(FNR==x-1 || FNR==x || (FNR>x+1 && FNR<=x+4)){f=1;break;}}if(!f){print $0;}f=0}' t.txt t.txt
ATOM 2517 O VAL 160 8.337 12.679 -2.487
ATOM 2519 N VAL 161 -14.431 5.789 -25.371
ATOM 2523 CA VAL 161 4.400 9.233 16.454
ATOM 2524 HA VAL 161 3.390 9.170 16.047