NMR Restraints Grid |
Result table
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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