residue

The job of assigning conformations to single residues is done by a CDatabaseFG fragment generator. It is a closed FG and the addressed fragment consists of only one residue. Such a FG is always consistent.

residue (<residueConformation>+)

<residueConformation>

=

<residueId> <properties> <set size>

The backbone conformation of the residue identified by <residueId> will be assigned conformations described by <properties>. <set size> defines the number of such different conformations that will be tried. A proportion of the complete <set size> can be specified with the % following the percentage.

<residueConformation>

=

<residueId1> [ <residueId2>] <properties> <set size>

This syntax is just a short cut for defining several residue (form <residueId1> to <residueId2> inclusively) that will be assigned identical sets of conformations. The allowed properties for residue conformations are as defined in Saenger [24] and described in section 5.

Example:

 residue
 (
   A11  A16  { helix }            1
   A17       { type_A || helix }  10
   A18       { C3'_endo && anti } 25
   A19       { }                  35
   A20       { type_A }           10%
   A21 A26   { helix }            100%
 )