//
//      Renumberering of Spin Systems.
//
//	(C) Copyright 1996, Carlsberg Laboratory, Dept. of Chemistry
//
//

STRUCTURE ss_entry
  DIM ss_id%,resid%,aname$ OF 8,chain$ OF 4
  DIM tmp_id%,new_id%
ENDSTRUCTURE ss_entry

PRINT "Protein has ",CAT_N_SC," chain(s)."

nss_ids%:=0
ss_id%:=CAT_SS_FIRST
WHILE ss_id%<>-1 DO
  nss_ids%:=nss_ids%+1
  ss_id%:=CAT_SS_NEXT(ss_id%)
ENDWHILE

PRINT "Protein has ",nss_ids%," spin system(s)."

DIM ss_ids.(nss_ids%) OF ss_entry

base_id%:=1000

i%:=1
ss_id%:=CAT_SS_FIRST
WHILE ss_id%<>-1 DO
  ss_ids.(i%).ss_id%:=ss_id%
  ss_ids.(i%).resid%:=CAT_SEQ_POS_OF_SS(ss_id%)
  ss_ids.(i%).aname$:=""
  ss_ids.(i%).chain$:=""
  ss_ids.(i%).tmp_id%:=base_id%+i%
  ss_ids.(i%).new_id%:=ss_ids.(i%).resid%
  PRINT "ss_id: ",ss_id%," sequence position: ",ss_ids.(i%).resid%
  i%:=i%+1
  ss_id%:=CAT_SS_NEXT(ss_id%)
ENDWHILE

DIM ss. OF ss_rec

FOR i%:=1 TO nss_ids% DO
  CAT_SS_GET ss_ids.(i%).ss_id%,ss.
  ss.ss_id%:=ss_ids.(i%).tmp_id%
  PRINT ss_ids.(i%).ss_id%," -> ",ss_ids.(i%).tmp_id%
  CAT_SS_UPDATE ss_ids.(i%).ss_id%,ss.
NEXT i%
PRINT 

FOR i%:=1 TO nss_ids% DO
  IF ss_ids.(i%).new_id%<>-1 THEN
    CAT_SS_GET ss_ids.(i%).tmp_id%,ss.
    ss.ss_id%:=ss_ids.(i%).new_id%
    PRINT ss_ids.(i%).tmp_id%," -> ",ss_ids.(i%).new_id%
    CAT_SS_UPDATE ss_ids.(i%).tmp_id%,ss.
  ENDIF
NEXT i%
PRINT "All done!"