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IMP
2.4.0
The Integrative Modeling Platform
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IMP
2.4.0
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 | 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 |
| Deprecated building macro - use BuildModel() 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.pmi.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))]