c-interface-refine.hh File Reference

Coot Scripting Interface - Refinement utilities. More...

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Functions
More Refinement Functions
void	use_unimodal_ring_torsion_restraints (const std::string &res_name)
	use unimodal ring torsion restraints (e.g. for carbohydrate pyranose)
void	use_unimodal_ring_torsion_restraints_for_residue (const std::string &res_name, PyObject *torsions_info_list)
	use unimodal ring torsion restraints (e.g. for carbohydrate pyranose)
void	set_refinement_geman_mcclure_alpha (float alpha)
	set the Geman-McClure distance alpha value (weight)
float	get_refinement_geman_mcclure_alpha ()
	get the Geman-McClure distance alpha value (weight)
void	set_refinement_lennard_jones_epsilon (float epsilon)
	set the Lennard Jones epsilon parameter
void	set_log_cosh_target_distance_scale_factor (float sf)
	set the log cosh scale factor for target position restraints
void	crankshaft_peptide_rotation_optimization_scm (int imol, SCM residue_spec_smc)
	Apply crankshaft peptide rotation optimization to the specified residue.
void	crankshaft_peptide_rotation_optimization_py (int imol, PyObject *residue_spec_py)
	Apply crankshaft peptide rotation optimization to the specified residue.
void	convert_dictionary_planes_to_improper_dihedrals ()

Detailed Description

Coot Scripting Interface - Refinement utilities.