{ "metadata": { "name": "replica_exchange_analysis" }, "nbformat": 3, "nbformat_minor": 0, "worksheets": [ { "cells": [ { "cell_type": "code", "collapsed": false, "input": [ "import IMP\n", "import IMP.pmi.output as output" ], "language": "python", "metadata": {}, "outputs": [], "prompt_number": 34 }, { "cell_type": "code", "collapsed": false, "input": [ "po=IMP.pmi.output.ProcessOutput(\"stat_replica.0.out\")\n", "po.show_keys()" ], "language": "python", "metadata": {}, "outputs": [ { "output_type": "stream", "stream": "stdout", "text": [ "ReplicaExchange_CurrentTemp ReplicaExchange_SwapSuccessRatio \n", "ReplicaExchange_MaxTempFrequency score \n", "ReplicaExchange_MinTempFrequency \n" ] } ], "prompt_number": 35 }, { "cell_type": "code", "collapsed": false, "input": [ "fs=po.get_fields([\"ReplicaExchange_SwapSuccessRatio\",\"score\",\"ReplicaExchange_CurrentTemp\"])" ], "language": "python", "metadata": {}, "outputs": [], "prompt_number": 36 }, { "cell_type": "code", "collapsed": false, "input": [ "IMP.pmi.output.plot_fields(fs)" ], "language": "python", "metadata": {}, "outputs": [], "prompt_number": 37 } ], "metadata": {} } ] }