IMP Reference Guide
2.9.0
The Integrative Modeling Platform
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Functions to read mol2s. More...
#include <IMP/atom/atom_config.h>
#include "Hierarchy.h"
#include "atom_macros.h"
#include "internal/mol2.h"
#include <IMP/Model.h>
#include <IMP/Particle.h>
#include <IMP/file.h>
Go to the source code of this file.
Classes | |
class | IMP::atom::AllMol2Selector |
Read all atoms. More... | |
class | IMP::atom::Mol2Selector |
A base class for choosing which Mol2 atoms to read. More... | |
class | IMP::atom::NonHydrogenMol2Selector |
Defines a selector that will pick only non-hydrogen atoms. More... | |
Namespaces | |
IMP | |
Base functionality and abstract base classes for representation, scoring and sampling. | |
IMP::atom | |
Functionality for loading, creating, manipulating and scoring atomic structures. | |
Mol2 IO | |
The read function produces a hierarchy containing the molecule. The write hierarchy writes all the Residue types in the hierarchy to the file. | |
Hierarchy | IMP::atom::read_mol2 (TextInput mol2_file, Model *model, Mol2Selector *mol2sel=nullptr) |
Create a hierarchy from a Mol2 file. More... | |
void | IMP::atom::write_mol2 (Hierarchy rhd, TextOutput file_name) |
Write a ligand hierarchy as a mol2 file. More... | |