Package org.rcsb.cif.schema.mm

Class IhmEnsembleInfo

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory
org.rcsb.cif.schema.mm.IhmEnsembleInfo
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class IhmEnsembleInfo
extends DelegatingCategory
Data items in the IHM_ENSEMBLE_INFO category records the details of the model clusters or ensembles obtained after sampling.

  • Constructor Details

  • Method Details

    • createDelegate

      protected Column createDelegate​(String columnName, Column column)
      Overrides:
      createDelegate in class DelegatingCategory

    • getEnsembleId

      public IntColumn getEnsembleId()
      A unique id for the ensemble.
      Returns:
      IntColumn

    • getEnsembleName

      public StrColumn getEnsembleName()
      An optional name for the cluster or ensemble for better description.
      Returns:
      StrColumn

    • getPostProcessId

      public IntColumn getPostProcessId()
      An identifier for the post modeling analyses carried out. This data item is a pointer to _ihm_modeling_post_process.id in the IHM_MODELING_POST_PROCESS category.
      Returns:
      IntColumn

    • getModelGroupId

      public IntColumn getModelGroupId()
      An identifier for the cluster or group of models being deposited. This data item is a pointer to the _ihm_model_group.id in the IHM_MODEL_GROUP category.
      Returns:
      IntColumn

    • getEnsembleClusteringMethod

      public StrColumn getEnsembleClusteringMethod()
      The clustering method used to obtain the ensemble, if applicable.
      Returns:
      StrColumn

    • getEnsembleClusteringFeature

      public StrColumn getEnsembleClusteringFeature()
      The parameter/feature used for clustering the models, if applicable.
      Returns:
      StrColumn

    • getNumEnsembleModels

      public IntColumn getNumEnsembleModels()
      The number of models in the current ensemble being described.
      Returns:
      IntColumn

    • getNumEnsembleModelsDeposited

      public IntColumn getNumEnsembleModelsDeposited()
      The number of models from the current ensemble that is deposited.
      Returns:
      IntColumn

    • getEnsemblePrecisionValue

      public FloatColumn getEnsemblePrecisionValue()
      The precision of each cluster or ensemble is calculated as dRMSD, which is the average C-alpha distance root mean square deviation (dRMSD) between the individual models in the cluster and the cluster centroid. The cluster centroid is defined as the model with the minimal sum of dRMSDs to the other models in the cluster or ensemble.
      Returns:
      FloatColumn

    • getEnsembleFileId

      public IntColumn getEnsembleFileId()
      A reference to the external file containing the structural models in the ensemble. The number of models in the external file should correspond to the number of models in the ensemble. This data item is a pointer to _ihm_external_files.id in the IHM_EXTERNAL_FILES category. It is recommended that the large ensemble files be stored as separate zip files within the same DOI. It is also recommended that large sphere model ensembles be in binary format, which facilitates faster access. Currently, a binary dump of co-ordinates in dcd format is suggested. The topology can be inferred from the IHM_SPHERE_OBJ_SITE and the ATOM_SITE categories in the corresponding mmCIF file.
      Returns:
      IntColumn

    • getDetails

      public StrColumn getDetails()
      Additional details regarding the ensemble.
      Returns:
      StrColumn

    • getSubSampleFlag

      public StrColumn getSubSampleFlag()
      Indicate if the ensemble consists of sub samples.
      Returns:
      StrColumn

    • getSubSamplingType

      public StrColumn getSubSamplingType()
      Indicate the sub sampling type, if applicable.
      Returns:
      StrColumn