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DFIX 1.20 0.01 N8 O5   
DFIX 1.20 0.01 N8 O5'   
ISOR 0.01 O5 O5'
PART 1
O5     4   1.053563  0.543781  0.096852 21.000000  0.061830  0.055020 =
           0.250080 -0.058290  0.081130 -0.007430
PART 2
O5'    4   1.044802  0.606926  0.076191 -21.000000  2.000000  2.000000 =
           2.000000 -1.000000  1.521030 -1.000000
PART 0
refineʱ³öÏÖÁËÒÔÏ´íÎó
UNSET FREE VARIABLE FOR ATOM O5  
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[ Last edited by ¿É¿É5823 on 2009-8-13 at 21:28 ]
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sadi 0.01 N8 O5 N8 O5'
eadp o5 o5'

FVAR ??(scale factor) 0.5

PART 1
O5     4   1.053563  0.543781  0.096852 21.000000  0.061830  0.055020 =
           0.250080 -0.058290  0.081130 -0.007430
PART 2
O5'    4   1.044802  0.606926  0.076191 -21.000000  0.061830  0.055020 =  
           0.250080 -0.058290  0.081130 -0.007430
PART 0


ÄãÍü¼ÇÔÚFVARÒ»À¸¼Ófree variableÁË.
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SADI 0.01 N8 O5 N8 O5'
EADP O5 O5'
ISOR 0.01 O5 O5'
DFIX 1.20 0.01 N8 O5'
DFIX 1.20 0.01 N8 O5

FVAR  0.155490  1.004840

PART 1
O5     4   1.053737  0.543609  0.097179 21.000000  0.063190  0.058690 =
           0.217240 -0.048950  0.070260 -0.004120
PART 2
O5'    4   1.002289  0.512818  0.091552 -21.000000  0.063190  0.058690 =
           0.217240 -0.048950  0.070260 -0.004120
PART 0

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[ Last edited by ¿É¿É5823 on 2009-8-14 at 10:46 ]
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Originally posted by ¿É¿É5823 at 2009-8-14 10:38:
FVARµÄº¬ÒåÊÇʲô  
ÄÇ»¹ÓÃÉ趨DFIX ºÍ  ISOR  Âð

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5Â¥2009-08-14 10:48:01
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