acpype.topol.ACTopol
====================

.. currentmodule:: acpype.topol

.. autoclass:: ACTopol
   :members:
   :show-inheritance:
   :inherited-members:

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~ACTopol.__init__
      ~ACTopol.balanceCharges
      ~ACTopol.checkFrcmod
      ~ACTopol.checkLeapLog
      ~ACTopol.checkSmiles
      ~ACTopol.checkXyzAndTopFiles
      ~ACTopol.convertPdbToMol2
      ~ACTopol.convertSmilesToMol2
      ~ACTopol.createACTopol
      ~ACTopol.createMolTopol
      ~ACTopol.delOutputFiles
      ~ACTopol.execAntechamber
      ~ACTopol.execObabel
      ~ACTopol.execParmchk
      ~ACTopol.execTleap
      ~ACTopol.getABCOEFs
      ~ACTopol.getAngles
      ~ACTopol.getAtoms
      ~ACTopol.getBonds
      ~ACTopol.getChirals
      ~ACTopol.getCoords
      ~ACTopol.getDihedrals
      ~ACTopol.getFlagData
      ~ACTopol.getResidueLabel
      ~ACTopol.guessCharge
      ~ACTopol.locateDat
      ~ACTopol.makeDir
      ~ACTopol.pickleSave
      ~ACTopol.printDebug
      ~ACTopol.printDebugQuoted
      ~ACTopol.printError
      ~ACTopol.printErrorQuoted
      ~ACTopol.printMess
      ~ACTopol.printWarn
      ~ACTopol.readMol2TotalCharge
      ~ACTopol.search
      ~ACTopol.setAtomType4Gromacs
      ~ACTopol.setProperDihedralsCoef
      ~ACTopol.setResNameCheckCoords
      ~ACTopol.signal_handler
      ~ACTopol.sortAtomsForGromacs
      ~ACTopol.writeCharmmTopolFiles
      ~ACTopol.writeCnsTopolFiles
      ~ACTopol.writeGroFile
      ~ACTopol.writeGromacsTop
      ~ACTopol.writeGromacsTopolFiles
      ~ACTopol.writeMdpFiles
      ~ACTopol.writePdb
      ~ACTopol.writePosreFile