IMP  2.2.1
The Integrative Modeling Platform
IMP::atom::CHARMMParameters Member List

This is the complete list of members for IMP::atom::CHARMMParameters, including all inherited members.

add_bonds(Hierarchy mhd) const IMP::atom::ForceFieldParameters
add_bonds(Residue rd) const (defined in IMP::atom::ForceFieldParameters)IMP::atom::ForceFieldParametersprotected
add_bonds(Residue rd1, Residue rd2) const (defined in IMP::atom::ForceFieldParameters)IMP::atom::ForceFieldParametersprotected
add_patch(CHARMMPatch *patch) (defined in IMP::atom::CHARMMParameters)IMP::atom::CHARMMParameters
add_radii(Hierarchy mhd, double scale=1.0, FloatKey radius_key=FloatKey("radius")) const IMP::atom::ForceFieldParameters
add_residue_topology(CHARMMIdealResidueTopology *res) (defined in IMP::atom::CHARMMParameters)IMP::atom::CHARMMParameters
add_well_depths(Hierarchy mhd) const IMP::atom::ForceFieldParameters
atom_res_type_2_force_field_atom_type_ (defined in IMP::atom::ForceFieldParameters)IMP::atom::ForceFieldParametersprotected
AtomTypeMap typedef (defined in IMP::atom::ForceFieldParameters)IMP::atom::ForceFieldParametersprotected
ChargePair typedef (defined in IMP::atom::ForceFieldParameters)IMP::atom::ForceFieldParametersprotected
CHARMMParameters(base::TextInput topology_file_name, base::TextInput par_file_name=base::TextInput(), bool translate_names_to_pdb=false)IMP::atom::CHARMMParameters
clear_caches()IMP::base::Objectvirtual
create_angles(kernel::Particles bonds) const IMP::atom::CHARMMParameters
create_dihedrals(kernel::Particles bonds) const IMP::atom::CHARMMParameters
create_topology(Hierarchy hierarchy) const IMP::atom::CHARMMParameters
do_destroy()IMP::base::Objectvirtual
do_show(std::ostream &out) const (defined in IMP::atom::CHARMMParameters)IMP::atom::CHARMMParameters
force_field_2_vdW_ (defined in IMP::atom::ForceFieldParameters)IMP::atom::ForceFieldParametersprotected
ForceFieldParameters() (defined in IMP::atom::ForceFieldParameters)IMP::atom::ForceFieldParameters
get_angle_parameters(std::string type1, std::string type2, std::string type3) const IMP::atom::CHARMMParameters
get_bond_parameters(std::string type1, std::string type2) const IMP::atom::CHARMMParameters
get_check_level() const (defined in IMP::base::Object)IMP::base::Object
get_dihedral_parameters(std::string type1, std::string type2, std::string type3, std::string type4) const IMP::atom::CHARMMParameters
get_epsilon(Atom atom) const IMP::atom::ForceFieldParameters
get_epsilon(const String &force_field_atom_type) const (defined in IMP::atom::ForceFieldParameters)IMP::atom::ForceFieldParametersprotected
get_improper_parameters(std::string type1, std::string type2, std::string type3, std::string type4) const IMP::atom::CHARMMParameters
get_log_level() const (defined in IMP::base::Object)IMP::base::Object
get_name() const (defined in IMP::base::Object)IMP::base::Object
get_patch(std::string name) const (defined in IMP::atom::CHARMMParameters)IMP::atom::CHARMMParameters
get_radius(Atom atom) const IMP::atom::ForceFieldParameters
get_radius(const String &force_field_atom_type) const (defined in IMP::atom::ForceFieldParameters)IMP::atom::ForceFieldParametersprotected
get_residue_topology(ResidueType type) const (defined in IMP::atom::CHARMMParameters)IMP::atom::CHARMMParameters
get_type_name() const (defined in IMP::atom::CHARMMParameters)IMP::atom::CHARMMParametersvirtual
get_version_info() const IMP::atom::CHARMMParametersvirtual
NonCopyable() (defined in IMP::base::NonCopyable)IMP::base::NonCopyableprotected
Object(std::string name)IMP::base::Objectprotected
residue_bonds_ (defined in IMP::atom::ForceFieldParameters)IMP::atom::ForceFieldParametersprotected
set_check_level(CheckLevel l)IMP::base::Object
set_log_level(LogLevel l)IMP::base::Object
set_name(std::string name) (defined in IMP::base::Object)IMP::base::Object
set_was_used(bool tf) const IMP::base::Object
show(std::ostream &out=std::cout) const (defined in IMP::base::Object)IMP::base::Object
~Object() (defined in IMP::base::Object)IMP::base::Objectvirtual