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google-code-export / nmrrestrntsgrid

Automatically exported from code.google.com/p/nmrrestrntsgrid
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alternate dipolar coupling format doesn't parse #202

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
If there is no explicit line for N, this will not parse correctly:
assign ( resid 989  and name OO  )
       ( resid 989  and name Z   )
       ( resid 989  and name X   )
       ( resid 989  and name Y   )
       ( resid   3  and name HN  )    1.2300  0.0000

Normal

!assign ( resid 500  and name OO  )
!       ( resid 500  and name Z   )
!       ( resid 500  and name X   )
!       ( resid 500  and name Y   )
!       ( segid="sbm1" and resid 2    and name N   )
!       ( segid="sbm1" and resid 2    and name HN  ) -54.165 45.835

Original issue reported on code.google.com by schulte....@gmail.com on 27 Mar 2009 at 1:57

GoogleCodeExporter commented 9 years ago

Original comment by jurge...@gmail.com on 31 Mar 2009 at 8:50