IMP Reference Guide
develop.36b5e40f34,2024/10/13
The Integrative Modeling Platform
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Protocols for sampling structures and analyzing them. More...
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... | |
def IMP.pmi1.macros.BuildModel0 | ( | m, | |
data, | |||
resolutions = [1 , |
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missing_bead_size = 20 , |
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residue_per_gaussian = None |
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) |
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))]
Definition at line 1190 of file /macros.py.