Compute the NOE distance between two nuclei (A, B) in a
structure specified by pdbVec There are two numbers: 15 Degree
and 45 Degree for correct the most possible orientation changing.
Compute the NOE distance between two nuclei (A, B) in a
structure specified by pdbVec There are two numbers: 15 Degree
and 45 Degree for correct the most possible orientation changing.
similar to "mergeAndCluster", but cluster all structures in one
directory as an ensemble
merge all structures in previous ensemble into one enemble (with the same pdb name)
and cluster them according to given resolution.
A program for computing all the backbond dihedral ($\phi$, $\psi$)
angles of an $\alpha$-helix or a $\beta$-strand based on exact
solution and a systematic search.