Hydrate.cc File Reference

A protocol to add explicit water molecules as part of Hydrate/SPaDES. More...

#include <protocols/hydrate/Hydrate.hh>
#include <protocols/hydrate/hydrate_functions.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/jd2/JobDistributor.hh>
#include <protocols/jd2/AtomTreeDiffJobOutputter.hh>
#include <protocols/jd2/Job.hh>
#include <core/pack/pack_rotamers.hh>
#include <core/optimization/AtomTreeMinimizer.hh>
#include <core/optimization/MinimizerOptions.hh>
#include <core/pack/palette/PackerPalette.hh>
#include <core/pack/palette/CustomBaseTypePackerPalette.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/hydrate.OptionKeys.gen.hh>
#include <basic/options/keys/multithreading.OptionKeys.gen.hh>
#include <basic/datacache/BasicDataCache.hh>
#include <utility/excn/Exceptions.hh>
#include <iostream>
#include <string>
#include <core/pack/rotamer_set/RotamerSets.hh>

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::hydrate

Functions
static basic::Tracer	TR ("protocols.hydrate.Hydrate")

Detailed Description

A protocol to add explicit water molecules as part of Hydrate/SPaDES.

The Hydrate Protocol.

Detailed:

Author

Joaquin Ambia Garrido, Jason K. Lai Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tute.nosp@m..org) to permit multi-threaded packing.

Detailed:

Author

Joaquin Ambia, Jason K. Lai

Detailed:

Author

Joaquin Ambia, Jason K. Lai Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tute.nosp@m..org) to permit multi-threaded packing.

Function Documentation

static basic::Tracer TR ( "protocols.hydrate.Hydrate"  )

static