[Xplor-nih] ANI atoms after structure calculation

[Charles at Schwieters.org]

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Hello Marco--

> 
> xplor-nih adds these lines in my pdb file after the simulated annealing.
> 
> ATOM    121  X   ANI   500      -0.514  -1.098  -0.555  1.00  1.00      AXIS
> ATOM    122  Y   ANI   500      -0.252  -2.006   0.496  1.00  1.00      AXIS
> ATOM    123  Z   ANI   500       0.594  -0.890   0.299  1.00  1.00      AXIS
> ATOM    124  OO  ANI   500       0.274  -1.645  -0.274  1.00  1.00      AXIS
> ATOM    125  OO2 ANI   500       0.274  -1.645  -0.274  1.00  1.00      AXIS
> ATOM    126  PA1 ANI   500      -0.023  -0.992  -0.970  1.00  1.00      AXIS
> ATOM    127  PA2 ANI   500      -0.544  -1.183  -0.616  1.00  1.00      AXIS
> 
> I have no clue why xplor is doing this. My annealing script ist based on 
> xplor-nih/eginput/gb1_rdc/anneal.py.
> 

these correspond to pseudoatoms used to describe the RDC alignment
tensor. They can normally be ignored.

best regards--
Charles
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