Did I find the right examples for you? yes no

All Samples(19)  |  Call(0)  |  Derive(0)  |  Import(19)

src/o/p/openbabel-1.8.1/examples/testpybel.py   openbabel(Download)
        cinfony = None
    try:
        import pybel
        rdkit = cdk = None
    except ImportError:

src/c/h/ChemPy-HEAD/chempy/molecule.py   ChemPy(Download)
    def getFormula(self):
        """
        Return the molecular formula for the molecule.
        """
        import pybel
        `OpenBabel <http://openbabel.org/>`_ to perform the conversion.
        """
        import pybel
        cmlstr = cmlstr.replace('\t', '')
        mol = pybel.readstring('cml', cmlstr)
        `OpenBabel <http://openbabel.org/>`_ to perform the conversion.
        """
        import pybel
        mol = pybel.readstring('inchi', inchistr)
        self.fromOBMol(mol.OBMol, implicitH)
        `OpenBabel <http://openbabel.org/>`_ to perform the conversion.
        """
        import pybel
        mol = pybel.readstring('smiles', smilesstr)
        self.fromOBMol(mol.OBMol, implicitH)
        `OpenBabel <http://openbabel.org/>`_ to perform the conversion.
        """
        import pybel
        mol = pybel.Molecule(self.toOBMol())
        cml = mol.write('cml').strip()

src/o/r/Orange-Bioinformatics-2.5.25/orangecontrib/bio/chem.py   Orange-Bioinformatics(Download)
    def mol_to_cairo(self, molSmiles, fragSmiles=None, file="mol.png"):
        import pybel
        molSmiles = max(molSmiles.split("."), key = lambda s:len(s))
        mol = pybel.readstring("smi", molSmiles)
 
    def mol_to_svg(self, molSmiles, fragSmiles=None):
        import pybel
        molSmiles = max(molSmiles.split("."), key = lambda s:len(s))
        mol = pybel.readstring("smi", molSmiles)
 

src/o/r/Orange-Bioinformatics-2.5.25/orangecontrib/bio/widgets/OWMoleculeVisualizer.py   Orange-Bioinformatics(Download)
 
try:
    import pybel
except ImportError:
    pybel = dummy_module("pybel")

src/n/a/NAMS-0.9.2/nams/nams.py   NAMS(Download)
 
"""
import pybel, openbabel
import sys
from munkres import Munkres, print_matrix

src/n/a/NAMS-0.9.2/nams/doubleb_e_z.py   NAMS(Download)
"""
 
import openbabel, pybel
from math import atan, sin, cos
 

src/n/a/NAMS-0.9.2/nams/chirality.py   NAMS(Download)
 
"""
import openbabel, pybel
 
class Chirality:

src/p/y/pymatgen-2.9.6/pymatgen/io/babelio.py   pymatgen(Download)
try:
    import openbabel as ob
    import pybel as pb
except ImportError:
    pb = None

src/r/m/RMG-website-HEAD/rmgweb/database/tools.py   RMG-website(Download)
import os
import settings
import pybel
import openbabel as ob
import xlrd

src/p/y/pygamess-0.3.0/pygamess/gamess.py   pygamess(Download)
#!/usr/bin/env python
# -*- encoding:utf-8 -*-
 
import openbabel as ob
import pybel

  1 | 2  Next