mol2.h File Reference

#include "nuri/core/molecule.h"
#include "nuri/fmt/base.h"

Include dependency graph for mol2.h:

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Classes
class	nuri::Mol2Reader
class	nuri::Mol2ReaderFactory

Namespaces
namespace	nuri

Functions
Molecule	nuri::read_mol2 (const std::vector< std::string > &mol2)
	Read a single Mol2 string and return a molecule.
bool	nuri::write_mol2 (std::string &out, const Molecule &mol, int conf=-1, bool write_sub=true)