CYANA Macro: dinucleotide: Difference between revisions
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== Parameters == | == Parameters == | ||
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== Description == | == Description == | ||
Performs grid searches for all dinucleotide fragments in the given range. | Performs grid searches for all dinucleotide fragments in the given ''range''. If the cutoff value for the local, fragment-based target function, fmax is positive, then all conformations with a local target function value below fmax will be considered as allowed. Otherwise, i.e. if fmax = 0.0, a conformation will be allowed if no single restraint violation exceeds the corresponding cutoff value defined by the variables [[CYANA Variables: soft_upl|'''soft_upl''']], [[CYANA Variables: soft_lol|'''soft_lol''']], etc. Unless the '''continue''' option is set, the allowed ranges of dihedral angles will be initialized to allow all possible angle values before the grid searches are started. The results include dihedral angle restraints and, if possible, stereospecific assignments for the diastereotopic groups in the fragment. | ||
If the cutoff value for the local, fragment-based target function, fmax | |||
is positive, then all conformations with a local target function value | |||
below fmax will be considered as allowed. Otherwise, i.e. if fmax = 0.0, a | |||
conformation will be allowed if no single restraint violation exceeds the | |||
corresponding cutoff value defined by the variables soft_upl, soft_lol, | |||
etc. Unless the continue option is set, the allowed ranges of dihedral | |||
angles will be initialized to allow all possible angle values before the | |||
grid searches are started. | |||
The results include dihedral angle restraints and, if possible, | |||
stereospecific assignments for the diastereotopic groups in the fragment. | |||
Latest revision as of 15:51, 12 January 2010
Parameters
- range=integer range
- (default: all residues)
- tfcut=real
- (default: 0.0)
- continue
Description
Performs grid searches for all dinucleotide fragments in the given range. If the cutoff value for the local, fragment-based target function, fmax is positive, then all conformations with a local target function value below fmax will be considered as allowed. Otherwise, i.e. if fmax = 0.0, a conformation will be allowed if no single restraint violation exceeds the corresponding cutoff value defined by the variables soft_upl, soft_lol, etc. Unless the continue option is set, the allowed ranges of dihedral angles will be initialized to allow all possible angle values before the grid searches are started. The results include dihedral angle restraints and, if possible, stereospecific assignments for the diastereotopic groups in the fragment.