NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	608164	5ks5	30135	cing	1-original	3	unknown	distance	hydrogen bond	simple

# Restraints file 3: hbond_reumb.py
inN="hbonds_h1-h4_v2.tbl"
outN="hb_renumb.tbl"
rescale=622
id1=3
id2=10

inF=open(inN,"r")
outF=open(outN,"w")

for aline in inF:
 if len(aline) > 20:
  values=aline.split()
  print aline
  renum1= str(int(values[id1])+rescale)
  renum2=str(int(values[id2])+rescale)
  if values[id1] == values[id2]:
   max=2
   if len(values[id1]) == 1:
    target1 = "  "+values[id1]
   elif len(values[id1]) == 2:
    target1 = " "+values[id1]
   else:
    target1=values[id1]
   stringR=aline.replace(target1,renum1,max)
  else:
   max=1 
   if len(values[id1]) == 1:
    target1 = "  "+values[id1]
   elif  len(values[id1]) == 2:
    target1 = " "+values[id1]
   else:
    target1=values[id1]
   stringR=aline.replace(target1,renum1,max)
   if len(values[id2]) == 1:
    target2 = "  "+values[id2]
   elif len(values[id2]) == 2:
    target2 = " "+values[id2]
   else:
    target2=values[id2]
   stringR=stringR.replace(target2,renum2,max)
 else:
  stringR=aline
 print stringR
 print "________________________________________" 
 outF.write('{:179s}\n'.format(stringR.rstrip('\r\n')))
 

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