Class for easy writing of PDBs, RMFs, and stat files.
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Inherits object.
Class for easy writing of PDBs, RMFs, and stat files.
- Note
- Model should be updated prior to writing outputs.
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This class is only available in Python.
Definition at line 200 of file output.py.
| def IMP.pmi.output.Output.get_pdb_names |
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self | ) |
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Get a list of all PDB files being output by this instance.
Definition at line 228 of file output.py.
| def IMP.pmi.output.Output.get_prot_name_from_particle |
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self, |
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name, |
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p |
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Get the protein name from the particle.
This is done by traversing the hierarchy.
Definition at line 345 of file output.py.
| def IMP.pmi.output.Output.init_pdb |
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self, |
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name, |
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prot, |
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mmcif = False |
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) |
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Init PDB Writing.
- Parameters
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| name | The PDB filename |
| prot | The hierarchy to write to this pdb file |
| mmcif | If True, write PDBs in mmCIF format |
- Note
- if the PDB name is 'System' then will use Selection to get molecules
Definition at line 259 of file output.py.
| def IMP.pmi.output.Output.init_rmf |
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self, |
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name, |
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hierarchies, |
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rs = None, |
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geometries = None, |
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listofobjects = None |
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) |
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Initialize an RMF file.
- Parameters
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| name | the name of the RMF file |
| hierarchies | the hierarchies to be included (it is a list) |
| rs | optional, the restraint sets (it is a list) |
| geometries | optional, the geometries (it is a list) |
| listofobjects | optional, the list of objects for the stat (it is a list) |
Definition at line 556 of file output.py.
The documentation for this class was generated from the following file:
