This function returns a geom::Vec3List containing the positions
of all the atoms in the entity.

from pairwise distances (d-RMSD).

to smooth a vector or list of floats

Angles for cells with axis not along xyz should be handled carefully
as they might be wrong (couldn't find documentation for dcd format).

struct_ref_seq_dif.seq_num is set to ? or . in case of
deletions in the deposited structure. We now set seq_num
to -1 in that case and no longer throw an exception.

The mmCIF reader now also parses struct_ref_seq and
struct_ref_seq_dif. Includes unit tests and docs

Conflicts:
	modules/gui/src/panels/panel_bar.cc

fixed python version in ost_config PYTHONPATH

refactored some ctors to use proper initialization lists

refactored some ctors to use proper initialization lists

Signed-off-by: Stefan Bienert <stefan.bienert@unibas.ch>

Changed behaviour on > 99999 atoms: now ***** is always used. Fixed PDB writer, reader, added unit test.

Signed-off-by: Stefan Bienert <stefan.bienert@unibas.ch>

CoordFrame CoordGroup::GetFrame2
And an export to python

Specifically: modified CoordGroupHandle::load_dcd and io::read_frame

to a CoordGroup.