c write(6,*)'This is for converting SEQRES records to' c write(6,*)'1-letter codes. 'head source' for examples' c awk '$1 ~ /SEQRES/' $wrk/mdave/PDBSUBMIT/forman1.rem \ c |awk '$3 ~ /A/' |$wrk/for/seqconv2 > as.seq c if input has more than 1 chain, if # res multiple of 13, c then insert blank line after chain to force starting new seq character*3 code3(24),A(13) character*1 code1(24),B(65),chain data code1 /'A','V','L','I','P','F','W', . 'M','G','S','T','C','Y', . 'N','Q','D','E','K','R','H','B','Z','X',' '/ data code3 /'ALA','VAL','LEU','ILE','PRO', . 'PHE','TRP','MET','GLY','SER','THR','CYS', . 'TYR','ASN','GLN','ASP','GLU','LYS','ARG', . 'HIS','ASX','GLX','XXX',' '/ C do 40 i=1,23 C40 write(6,*) code1(i),' ',code3(i) 50 do 52 i=1,65 52 b(i)=' ' do 92 ii=0,4 read(5,51,err=100) (a(i),i=1,13) c read(5,51,err=100) (chain(ii),a(i),i=1,13) c write(6,*)ii,(i,a(i),i=1,13) 51 FORMAT(19x,13(A3,1x)) c51 FORMAT(11x,a1,7x,13(A3,x)) do 90 i=1,13 do 90 j=1,23 if (a(i).eq.code3(j)) b(i+13*ii)=code1(j) 90 continue if (a(13).eq.' ') goto 95 92 continue 95 WRITE(6,*) (b(i),i=1,65) goto 50 100 n=i-1 WRITE(6,*) (b(i),i=1,n) end c12345678901234567890 cSEQRES 28 A 446 SER GLU VAL LEU ARG GLY LYS ASN PHE LEU ARG ASN ALA