molecules_container_t::fit_ligand_info_t Class Reference

#include <molecules-container.hh>

Public Member Functions
	fit_ligand_info_t (int i, int c, int l)
float	get_fitting_score () const
float	get_cluster_volume () const

Public Attributes
int	imol
int	cluster_idx
int	ligand_idx
float	fitting_score
float	cluster_volume

Detailed Description

Ligand Fitting

Returns

a vector of indices of molecules for the best fitting ligands each of the "possible ligand" blobs.

Member Function Documentation

get_fitting_score()

float molecules_container_t::fit_ligand_info_t::get_fitting_score ( ) const

inline

Returns

the fitting score

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The documentation for this class was generated from the following file:

• /opt/mambaforge/envs/bioconda/conda-bld/coot-headless_1766554005715/work/api/molecules-container.hh