File: RDKitConv.h

package info (click to toggle)
openbabel 2.3.1%2Bdfsg-4
  • links: PTS, VCS
  • area: main
  • in suites: wheezy
  • size: 76,164 kB
  • sloc: cpp: 316,390; ansic: 91,270; python: 6,971; perl: 6,591; pascal: 793; sh: 193; xml: 97; ruby: 55; makefile: 38; java: 23; cs: 14
file content (10 lines) | stat: -rw-r--r-- 297 bytes parent folder | download | duplicates (10)
1
2
3
4
5
6
7
8
9
10
#include <openbabel/mol.h>
#include <openbabel/obiter.h>
#include <graphmol/RWMol.h>
#include <graphmol/Atom.h>

///Convert OpenBabel OBMol to and from RGKit molecules
RDKit::RWMol OBMolToRWMol(OpenBabel::OBMol* pOBMol);

//! \file RDKitConv.h
//! \brief Allow conversion from OBMol to RDKit RWMol