An app to make a mainchain potential, using MM or QM methods, for an NCAA with an already-generated sidechain potential (Dunbrack library). More...

#include <devel/init.hh>
#include <protocols/mainchain_potential/GenerateMainchainPotential.hh>
#include <protocols/mainchain_potential/GenerateMainchainPotentialOptions.hh>
#include <utility/excn/Exceptions.hh>
#include <utility/pointer/memory.hh>
#include <basic/Tracer.hh>
#include <basic/options/keys/OptionKeys.hh>

Functions
void	register_options ()

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

Variables
static basic::Tracer	TR ("make_mainchain_potential")

Detailed Description

An app to make a mainchain potential, using MM or QM methods, for an NCAA with an already-generated sidechain potential (Dunbrack library).

I'll convert this to a JD3 app for parallelization later.

Author: Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tute.nosp@m..org)

Function Documentation

◆ main()

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

References argv, test.T009_Exceptions::e, basic::init(), options, and register_options().

◆ register_options()

void register_options ( )

Referenced by main().

Variable Documentation

◆ TR

basic::Tracer TR("make_mainchain_potential") ( "make_mainchain_potential" )

static