Hi all,
I am aware of programs to plot (or analyse) the difference
between the main chain angles of two monomers. I wondered there might
be such facility for side chain angles. I consider this might also be
useful to analyse, e.g., changes in conformation for different
crystals or different ligands in a site, or even to improve selection
of residues for NCS constraints. If there is not such program, I am
inclined to prepare a script to do so; I could be helped by programs
that could, at least, calculate and tabulate the angles. I am aware of
only procheck to do this (partially?), any other?
In summary:
a) Differences between main chain angles, I know of Whatcheck and coot
(with the Kleywegt plot tool);
b) Differences between side chain angles, if not a program for
differences, at least one to tabulate the chi angles (procheck makes
this partially ... ?).
Jorge
