6CYANA: distances information - CYANA command

Parameters: selection=<string>             (default: <blank>)
            method=angles|structure        (default: angles)
            importance=<real>              (default: 10000.0)
            report=<real>                  (default: 1.0)
            spread=<real>                  (default: 0.5)

This command reports the information content of the selected distance
restraints in the context of all distance restraints relative to a
random structure the selected structures.

Typically, this command is used with random structures. The information
content is given by the negative decadic logarithm of the probability
that the selected distance restraints will be fulfilled by a random
structure. The information content of an individual distance restraint
is given by the negative decadic logarithm of the probability that the
restraint will be fulfilled by a random structure divided by the
redundancy of the individual restraint with all restraints in the data
set.

By default, the total information content is reported. The information
content of individual distance restraints is listed if it exceeds the
given 'importance' value or the fraction of the total information
content given by the 'report' parameter. For example:

 Type  First atom     - Second atom     Lower  Upper  DoF   Dist  pProb Redund    Inf
 Upper HB    THR   91 - QB    GLN   93          5.50    6   9.35   0.71   4.25   0.17
 Upper HB2   SER   80 - H     ILE   81          4.22    2   4.50   0.09   2.84   0.03
 Upper HB3   SER   80 - H     ILE   81          4.22    2   4.50   0.09   2.84   0.03
 Upper HA    ILE   81 - H     LEU   84          4.01    4   7.50   0.86   2.48   0.35
 Upper HA    ILE   81 - HB2   LEU   84          4.47    6  10.50   1.15   3.69   0.31
 Upper HA    ILE   81 - QG2   ILE   81          3.46    1   3.54   0.04   2.03   0.02
 Upper HA    ILE   81 - HG12  ILE   81          3.77    2   4.26   0.18   2.56   0.07
 Upper HA    VAL   28 - HG    LEU   39          3.97   24  30.00   2.69   1.62   1.67
 Upper H     SER   52 - HB2   SER   52          3.96    2   4.21   0.09   2.10   0.04
 Upper H     SER   52 - HB3   SER   52          3.96    2   4.21   0.09   2.10   0.04
 Upper QB    SER   99 - H     VAL  101          5.50    4   6.68   0.26   4.16   0.06
 Upper H     SER   43 - QB    SER   43          3.12    2   3.75   0.30   1.15   0.26
 Upper QB    SER   43 - H     GLU   48          4.07   10  14.70   1.72   2.05   0.84
 Upper HA    GLU   42 - QB    SER   43          5.50    3   5.35   0.00   3.48   0.00
 ...
 Information content: 715.85 for 1737 out of 1737 distance restraints.

 Lower  = lower distance bound
 Upper  = upper distance bound
 DoF    = degrees of freedom (flexible torsion angles)
 Dist   = maximal distance in the selected structures
 pProb  = -log10(probability to be fulfilled in a random structure)
 Redund = redundancy with other restraints
 Inf    = information content, Inf = pProb/Redund

Distance restraints with lower bound >= upper bound would lead to an
infinite information content. To avoid this, the difference  between
the upper and the lower bound for a given distance is taken to be at
least equal to the 'spread'.

See also: infotab
