c-interface-ligands-swig.hh File Reference

Coot Scripting Interface - Ligands interface. More...

Go to the source code of this file.

Functions
void	coot_all_atom_contact_dots (int imol)
	calculate all-atom contact dots More...
void	set_all_atom_contact_dots_ignore_water (short int state)
	set if all atom contact should ignore water-water interactions (default off)
void	coot_add_hydrogen_atoms (int imol)
	add Hydrogen atoms to the molecule
bool	enhanced_ligand_coot_p ()
	is this an "enhanced-ligand" version?
int	jed_flip_intermediate_atoms ()
	JED-Flip the bond of the active atoms.
int	reverse_jed_flip_intermediate_atoms ()
	JED-Flip the bond of the active atoms using reversed atom selection (wag the dog)
SCM	get_ligand_distortion_summary_info_scm (int imol, SCM residue_spec)
	side-chain 180 flip on the active atom More...
PyObject *	get_ligand_distortion_summary_info_py (int imol, PyObject *residue_spec)
	return the summary info for ligand distortion

Detailed Description

Coot Scripting Interface - Ligands interface.

Function Documentation

void coot_all_atom_contact_dots

(

int

imol

)

calculate all-atom contact dots

remove contact dots objects using the Generic Display Objects dialog

SCM get_ligand_distortion_summary_info_scm	(	int	imol,
		SCM	residue_spec
	)

side-chain 180 flip on the active atom

return the summary info for ligand distortion