Grafts a 2-residue + zinc match onto the match's scaffold, duplicates the pose, then performs two discrete flips (rollmoves) to the second chain that generates a symmetric pose with a tetrahedral metal binding site. More...

#include <devel/init.hh>
#include <protocols/metal_interface/MatchGrafter.hh>
#include <protocols/metal_interface/FindClosestAtom.hh>
#include <protocols/rigid/RollMover.hh>
#include <protocols/moves/Mover.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/import_pose/import_pose.hh>
#include <core/conformation/Conformation.hh>
#include <basic/Tracer.hh>
#include <utility/vector1.hh>
#include <utility/file/FileName.hh>
#include <numeric/xyzVector.hh>
#include <core/conformation/Residue.hh>
#include <basic/options/option.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <numeric/xyzVector.io.hh>
#include <basic/options/keys/OptionKeys.hh>

Classes
class	zinc1_homodimer_setup

Typedefs
typedef numeric::xyzVector< core::Real >	point

typedef point	axis

typedef utility::pointer::shared_ptr< zinc1_homodimer_setup >	zinc1_homodimer_setupOP

Functions
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("apps.public.design.zinc1_homodimer_setup")

basic::options::StringOptionKey const	scaffold_pdb ("scaffold_pdb")

Detailed Description

Grafts a 2-residue + zinc match onto the match's scaffold, duplicates the pose, then performs two discrete flips (rollmoves) to the second chain that generates a symmetric pose with a tetrahedral metal binding site.

Takes a 2-residue + zinc match as -s or -l, requires the scaffold pdb indicated as an option. The first flip (rollmove) is along the axis that connects p1 with p2 (p1 is an xyzVector one zinc-coordinating atom), and zinc is translated to the origin at the time of the flip. The second rollmove is along the axis that bisects the p1:p2 and p3:p4. This protocol preceeds SymMetalInterface_OneZN_design.cc