Compute three Euler angles using two sets of RDC data and the corresponding Saupe elements
Basic steps:
extract the NH vectors with the corresponding RDC data as an array (for efficiency)
For all the values of three Euler angles first compute the new NH directions after the rotation
then compute the RDCs and RMSD from the new NH directions.
Compute three Euler angles using two sets of RDC data and the corresponding Saupe elements
Basic steps:
extract the NH vectors with the corresponding RDC data as an array (for efficiency)
For all the values of three Euler angles first compute the new NH directions after the rotation
then compute the RDCs and RMSD from the new NH directions.
The method right now may have ERROR!
To extract all the sequential restraints (both RDCs and NOEs)
involving the backbone nuclei (HA and NH) located in the turn or the loop.