parmed.tools package

Subpackages

• parmed.tools.gui package
  • Submodules
    • parmed.tools.gui.guiactions module
    • parmed.tools.gui.guifiletools module
    • parmed.tools.gui.guitools module
  • Module contents
• parmed.tools.simulations package
  • Submodules
    • parmed.tools.simulations.openmm module
    • parmed.tools.simulations.sanderapi module
  • Module contents

Submodules

• parmed.tools.actions module
• parmed.tools.add1264 module
• parmed.tools.addljtype module
• parmed.tools.argumentlist module
• parmed.tools.changeradii module
• parmed.tools.checkvalidity module
• parmed.tools.coarsegrain module
• parmed.tools.exceptions module
• parmed.tools.logos module
• parmed.tools.parmed_cmd module
• parmed.tools.parmlist module

Module contents

A list of all of the tools used by the parmed script

class parmed.tools.ParmList

Bases: object

List of Structure objects index-able via either file name or file index (based on order added)

Methods

add_parm(parm[, name])	Add a parm to the list
empty()	Returns True if the list is empty; False otherwise
index(idx)	See what the index of the requested parm is (can be int or str)
set_new_active(idx)	Sets a new active parm

add_parm(parm, name=None)

Add a parm to the list

empty()

Returns True if the list is empty; False otherwise

index(idx)

See what the index of the requested parm is (can be int or str)

set_new_active(idx)

Sets a new active parm