work for bb only?
A temporary method for converting the residue name in the
RDC-derived PDB file, which are "ALA", to real Residue name, also
to build the conformation of proline and glycine residue.
A temporary method for converting the residue name in the
RDC-derived PDB file, which are "ALA", to real Residue name, also
to build the conformation of proline and glycine residue.
Compute the global rotation matrix for rotating a coordinate
frame such as the PDB frame where the two vectors NH(i)->N(i) (nToh)
and N(i)->CA(i) (nToca) defined into the following frame:
+Z-axis along the bond NH(i)->N(i), "->" means from nuclear NH(i) to nuclear N(i).
compute global rotation (Rg) with two noncolinear vectors, Rg
is the rotation matrix for rotating the PDB coordinate system
into the following system:
+z-axis along the bond NH(i)->N(i), "->" means from atom N(i) to atom NH(i).
compute global rotation (Rg) with two no colinear vectors
Rg is the same as the last method
Here the input are the NH vector and one Euler angle gamma for the N(i)->CA(i) vector
accounting the rotation of the peptide plane along the NH vector.