IMP logo
IMP Reference Guide  develop.b79bf0c255,2019/12/05
The Integrative Modeling Platform
IMP.pmi1.macros Namespace Reference

Protocols for sampling structures and analyzing them. More...

Detailed Description

Protocols for sampling structures and analyzing them.

Classes

class  AnalysisReplicaExchange
 This class contains analysis utilities to investigate ReplicaExchange results. More...
 
class  AnalysisReplicaExchange0
 A macro for running all the basic operations of analysis. More...
 
class  BuildModel
 A macro to build a Representation based on a Topology and lists of movers. More...
 
class  BuildModel1
 Building macro. More...
 
class  ReplicaExchange0
 A macro to help setup and run replica exchange. More...
 

Functions

def BuildModel0
 Construct a component for each subunit (no splitting, nothing fancy). More...
 

Function Documentation

def IMP.pmi1.macros.BuildModel0 (   m,
  data,
  resolutions = [1,
  missing_bead_size = 20,
  residue_per_gaussian = None 
)

Construct a component for each subunit (no splitting, nothing fancy).

You can pass the resolutions and the bead size for the missing residue regions. To use this macro, you must provide the following data structure: Component pdbfile chainid rgb color fastafile sequence id in fastafile data = [("Rpb1", pdbfile, "A", 0.00000000, (fastafile, 0)), ("Rpb2", pdbfile, "B", 0.09090909, (fastafile, 1)), ("Rpb3", pdbfile, "C", 0.18181818, (fastafile, 2)), ("Rpb4", pdbfile, "D", 0.27272727, (fastafile, 3)), ("Rpb5", pdbfile, "E", 0.36363636, (fastafile, 4)), ("Rpb6", pdbfile, "F", 0.45454545, (fastafile, 5)), ("Rpb7", pdbfile, "G", 0.54545455, (fastafile, 6)), ("Rpb8", pdbfile, "H", 0.63636364, (fastafile, 7)), ("Rpb9", pdbfile, "I", 0.72727273, (fastafile, 8)), ("Rpb10", pdbfile, "L", 0.81818182, (fastafile, 9)), ("Rpb11", pdbfile, "J", 0.90909091, (fastafile, 10)), ("Rpb12", pdbfile, "K", 1.00000000, (fastafile, 11))]

Note
This function is only available in Python.

Definition at line 1188 of file /macros.py.