pygromos package

Subpackages

• pygromos.analysis package
  • Submodules
  • pygromos.analysis.coordinate_analysis module
  • pygromos.analysis.energy_analysis module
  • pygromos.analysis.error_estimate module
  • pygromos.analysis.free_energy_calculation module
  • Module contents
• pygromos.data package
  • Subpackages
    • pygromos.data.ene_ana_libs package
      • Module contents
    • pygromos.data.ff package
      • Subpackages
      • Submodules
      • pygromos.data.ff.addAtomType module
      • pygromos.data.ff.atomType module
      • Module contents
    • pygromos.data.simulation_parameters_templates package
      • Module contents
    • pygromos.data.solvent_coordinates package
      • Module contents
    • pygromos.data.topology_templates package
      • Module contents
  • Module contents
• pygromos.files package
  • Subpackages
    • pygromos.files.blocks package
      • Submodules
      • pygromos.files.blocks.coord_blocks module
      • pygromos.files.blocks.imd_blocks module
      • pygromos.files.blocks.miscBlocks module
      • pygromos.files.blocks.mtb_blocks module
      • pygromos.files.blocks.pertubation_blocks module
      • pygromos.files.blocks.qmmm_blocks module
      • pygromos.files.blocks.replica_exchange_blocks module
      • pygromos.files.blocks.topology_blocks module
      • Module contents
    • pygromos.files.coord package
      • Submodules
      • pygromos.files.coord.cnf module
      • pygromos.files.coord.posres module
      • pygromos.files.coord.refpos module
      • Module contents
    • pygromos.files.forcefield package
      • Subpackages
      • Module contents
    • pygromos.files.gromos_system package
      • Submodules
      • pygromos.files.gromos_system.gromos_system module
      • Module contents
    • pygromos.files.otherfiles package
      • Submodules
      • pygromos.files.otherfiles.new_repdat module
      • pygromos.files.otherfiles.noe_output module
      • pygromos.files.otherfiles.repdat module
      • pygromos.files.otherfiles.residue_library module
      • Module contents
    • pygromos.files.qmmm package
      • Submodules
      • pygromos.files.qmmm.qmmm module
      • Module contents
    • pygromos.files.simulation_parameters package
      • Submodules
      • pygromos.files.simulation_parameters.imd module
      • Module contents
    • pygromos.files.topology package
      • Submodules
      • pygromos.files.topology.disres module
      • pygromos.files.topology.ifp module
      • pygromos.files.topology.mtb module
      • pygromos.files.topology.ptp module
      • pygromos.files.topology.top module
      • Module contents
    • pygromos.files.trajectory package
      • Subpackages
      • Submodules
      • pygromos.files.trajectory.trc module
      • pygromos.files.trajectory.tre module
      • pygromos.files.trajectory.trg module
      • Module contents
  • Module contents
• pygromos.gromos package
  • Subpackages
    • pygromos.gromos.pyGromosPP package
      • Submodules
      • pygromos.gromos.pyGromosPP.com_top module
      • pygromos.gromos.pyGromosPP.ran_box module
      • Module contents
  • Submodules
  • pygromos.gromos.compile_gromos module
  • pygromos.gromos.gromosBashSyntaxParser module
  • pygromos.gromos.gromosPP module
  • pygromos.gromos.gromosXX module
  • Module contents
• pygromos.simulations package
  • Subpackages
    • pygromos.simulations.approaches package
      • Subpackages
      • Module contents
    • pygromos.simulations.hpc_queuing package
      • Subpackages
      • Module contents
    • pygromos.simulations.modules package
      • Submodules
      • pygromos.simulations.modules.general_analysis_modules module
      • pygromos.simulations.modules.general_simulation_modules module
      • pygromos.simulations.modules.preset_simulation_modules module
      • pygromos.simulations.modules.ti_modules module
      • Module contents
  • Module contents
• pygromos.tests package
  • Subpackages
    • pygromos.tests.in_testfiles package
      • Module contents
    • pygromos.tests.out_testresults package
      • Module contents
    • pygromos.tests.test_analysis package
      • Submodules
      • pygromos.tests.test_analysis.test_error_estimate module
      • pygromos.tests.test_analysis.test_freeEnergy module
      • Module contents
    • pygromos.tests.test_approaches package
      • Submodules
      • pygromos.tests.test_approaches.test_solvation_free_ernergy module
      • Module contents
    • pygromos.tests.test_files package
      • Submodules
      • pygromos.tests.test_files.general_file_functions module
      • pygromos.tests.test_files.test_cnf_funcs module
      • pygromos.tests.test_files.test_disres module
      • pygromos.tests.test_files.test_disres_file module
      • pygromos.tests.test_files.test_gromosSystem module
      • pygromos.tests.test_files.test_gromosSystem_forcefields module
      • pygromos.tests.test_files.test_imd module
      • pygromos.tests.test_files.test_imd_block module
      • pygromos.tests.test_files.test_mtb module
      • pygromos.tests.test_files.test_ptp module
      • pygromos.tests.test_files.test_qmmm module
      • pygromos.tests.test_files.test_repdat module
      • pygromos.tests.test_files.test_resnlib module
      • pygromos.tests.test_files.test_top module
      • pygromos.tests.test_files.test_trajectory module
      • Module contents
    • pygromos.tests.test_simulation_blocks package
      • Submodules
      • pygromos.tests.test_simulation_blocks.test_simulation_runner_blocks module
      • Module contents
    • pygromos.tests.test_submission package
      • Submodules
      • pygromos.tests.test_submission.test_hpc_queuing_submission_job module
      • pygromos.tests.test_submission.test_hpc_queuing_submission_scheduling module
      • pygromos.tests.test_submission.test_hpc_queuing_submission_systems module
      • Module contents
  • Submodules
  • pygromos.tests.test_pygromos module
  • Module contents
• pygromos.utils package
  • Submodules
  • pygromos.utils.amino_acids module
  • pygromos.utils.bash module
    • Description
  • pygromos.utils.compiledProgram module
  • pygromos.utils.pdb module
  • pygromos.utils.typing module
  • pygromos.utils.utils module
  • Module contents
• pygromos.visualization package
  • Submodules
  • pygromos.visualization.coordinates_visualization module
  • Module contents

Submodules

pygromos.pygromos module

pygromos.py The aim of the module is to bring romos to the Python3 World!

Handles the primary functions

Module contents

PyGromos The aim of the module is to bring romos to the Python3 World!