Compute three Euler angles using two sets of RDC data (pissbile missing)
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 (pissbile missing)
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 (pissbile missing)
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 atom identifiers are based on the IUPAC-IUB and X-plor
For different nomenclature this functions should modified correspondingly
input: residue type
output: all atoms belong to one amino acid.