Grid fragment
Jump to navigation
Jump to search
Parameters
- selection=string
- (default: none)
- none
Description
Defines a fragment to be analyzed by a subsequent grid search. The angle selection must select a connected subset of the dihedral angles. Alternatively, the option none can be given to undefine the current fragment. For instance,
grid fragment "PSI 7 + PHI PSI CHI1 8 + PHI 9"
defines a molecular fragment comprising the PSI angle of residue 7, the PHI, PSI and CHI1 angle of residue 8, and the PHI angle of residue 9.