doc/ref/osPeptideDocker_8py_source.html

 import IMP

 import subprocess

 import random

 import IMP.domino

 import IMP.core

 import IMP.rmf

 import RMF

 import time

 import IMP.algebra

 import types

 import re

 import sys

 import operator

 import os

 import peptideDocker


 parameterFileName = sys.argv[1]


 p = peptideDocker.PeptideDocker(parameterFileName)


 p.createModel()


 p.loadHelpers()


 p.initDof()


 p.addForceFieldRestraints()


 p.addClosePairNonBondedRestraints()


 p.addCompleteNonBondedRestraints()


 p.setInitialPositions()


 p.logTime("Setup")


 p.runMolecularDynamics()


 p.logTime("Run MD")


 p.runAllCg()


 p.logTime("Run CG")


 p.readTrajectories()


 p.writeOutput()


 p.writeOsOutput()


 p.outputTimes()

IMP::core
Basic functionality that is expected to be used by a wide variety of IMP users.

IMP::algebra
General purpose algebraic and geometric methods that are expected to be used by a wide variety of IMP...

IMP::rmf
Support for the RMF file format for storing hierarchical molecular data and markup.

IMP::domino
Divide-and-conquer inferential optimization in discrete space.