## 8DEMOS: MigrateFromDyanaCyana1 - Migrate data from Cyana 1.x or Dyana
##
## Conversion of data files from standard Cyana 1.x or Dyana nomenclature to
## the standard IUPAC nomenclature used by Cyana. The standard three-letter 
## code names ASP, ARG, GLU and LYS in Cyana correspond to the charged forms
## of these amino acid residues, which were named ASP-, ARG+, GLU- and LYS+,
## respectively, in the standard Cyana 1.x or Dyana library.
##
## Demo files:
## Input: demo-dyana.seq, demo-dyana.upl, demo-dyana.aco
## Output: demo-cyana.seq, demo-cyana.upl, demo-cyana.aco
##
## IUPAC nomenclature: Markley et al. (1998) Eur. J. Biochem. 256, 1-15.


read seq ../noe.seq
translate dyana				# use Cyana 1.x/Dyana nomenclature

#read seq ./noedya.seq			# read sequence from Cyana 1.x/Dyana
#read upl found.upl unknown=warn	# read upper distance limits from Cyana 1.x/Dyana
#read aco found.aco unknown=warn	# read angle restraints from Cyana 1.x/Dyana
#read aco talos.aco
read prot noeall.prot

translate off				# return to standard (IUPAC) nomenclature

#write sr115c.seq			# save sequence in standard Cyana format
write prot noec.prot
atomsw
write prot noec_sw.prot
translate dyana
read prot d2o
translate off
write prot d2oc
atomsw
write prot d2oc_sw
#write upl found-cyana.upl		# save upper distance limits in standard Cyana format
#write aco talos_c.aco
#write aco found-cyana.aco		# save angle restraints in standard Cyana format