- Timestamp:
- 11/19/09 11:29:48 (14 years ago)
- Branches:
- master
- Children:
- 7137e5d
- Parents:
- 32289cd
- File:
-
- 1 edited
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redseq.f
r32289cd r38d77eb 36 36 37 37 if (iopfil(lunseq,seqfil,'old','formatted').le.izero) then 38 write ( *,'(a,/,a,i3,2a)')38 write (logString, '(a,/,a,i3,2a)') 39 39 & ' redseq> ERROR opening sequence file:', 40 40 & ' LUN=',lunseq,' FILE=',seqfil(1:iendst(seqfil)) … … 67 67 68 68 if ((nrs-irsml1(ntlml)+1).eq.0) then 69 write (*,'(2a)') ' redseq> IGNORE molecule: ',69 write (logString, '(2a)') ' redseq> IGNORE molecule: ', 70 70 & nmml(ntlml)(1:iendst(nmml(ntlml))) 71 71 ntlml=ntlml-1 … … 74 74 ntlml=ntlml+1 75 75 if (ntlml.gt.mxml) then 76 write(*,'(a,i4,2a)')' redseq> NUMBER of molecules > ' 76 write (logString, '(a,i4,2a)') 77 & ' redseq> NUMBER of molecules > ' 77 78 & ,mxml,' in ',seqfil(1:iendst(seqfil)) 78 79 close(lunseq) … … 124 125 125 126 if (id.gt.4) then 126 write ( *,'(4a)') ' redseq> INVALID residue NAME >',127 write (logString, '(4a)') ' redseq> INVALID residue NAME >', 127 128 & line(ib:ii),'< in ', 128 129 & seqfil(1:iendst(seqfil)) … … 133 134 nrs=nrs+1 134 135 if (nrs.gt.mxrs) then 135 write(*,'(a,i4,2a)') ' redseq> NUMBER of residues > ' 136 write (logString, '(a,i4,2a)') 137 & ' redseq> NUMBER of residues > ' 136 138 & ,mxrs,' in ',seqfil(1:iendst(seqfil)) 137 139 close(lunseq) … … 162 164 163 165 if (nrs.eq.0) then 164 write ( *,'(2a)') ' redseq> no residues found in ',166 write (logString, '(2a)') ' redseq> no residues found in ', 165 167 & seqfil(1:iendst(seqfil)) 166 168 stop … … 179 181 if (i.eq.ntlml) then ! Check last molecule 180 182 if ((nrs-ifirs+1).eq.0) then 181 write (*,'(2a)') ' redseq> IGNORE molecule '183 write (logString, '(2a)') ' redseq> IGNORE molecule ' 182 184 & ,nmml(ntlml)(1:iendst(nmml(ntlml))) 183 185 ntlml=ntlml-1 184 186 if (ntlml.eq.0) then 185 write (*,'(2a)') ' redseq> no residues found in ', 186 & seqfil(1:iendst(seqfil)) 187 write (logString, '(2a)') 188 & ' redseq> no residues found in ', 189 & seqfil(1:iendst(seqfil)) 187 190 stop 188 191 endif … … 192 195 endif 193 196 194 ! write ( *,'(/,a,i4,2a)') ' redseq> ',irsml2(i)-irsml1(i)+1,197 ! write (logString, '(/,a,i4,2a)') ' redseq> ',irsml2(i)-irsml1(i)+1, 195 198 ! & ' residue(s) in molecule: ', 196 199 ! & nmml(i)(1:iendst(nmml(i))) 197 ! write ( *,'(15(1x,a))') (seq(j),j=irsml1(i),irsml2(i))200 ! write (logString, '(15(1x,a))') (seq(j),j=irsml1(i),irsml2(i)) 198 201 199 202 enddo … … 203 206 ! _______________________________________________ error 204 207 205 4 write ( *,'(a,i4,2a)') ' redseq> ERROR reading line No. ',nln,208 4 write (logString, '(a,i4,2a)') ' redseq> ERROR reading line No. ',nln, 206 209 & ' in ',seqfil(1:iendst(seqfil)) 207 210 close(lunseq)
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