dump ==== Print metadata and the internal group/dataset tree of Pharmacon HDF5 artifacts to the terminal as rich formatted panels. Useful for verifying a file is intact, checking which analyses it contains, and inspecting run parameters without opening an HDF5 viewer or writing any Python code. .. contents:: Subcommands :local: :depth: 1 ---- dump pta -------- Inspect a Pharmacon Trajectory Analysis (``.pta``) file. **Arguments** .. list-table:: :header-rows: 1 :widths: 35 10 55 * - Flag - Required - Description * - ``-i / --input`` - Yes - Input ``.pta`` file * - ``--disable-file-metadata`` - No - Suppress the file-level metadata panel * - ``--disable-group-meta`` - No - Suppress group-level metadata * - ``--disable-dataset-meta`` - No - Suppress dataset-level metadata * - ``--verbose`` - No - Print extended info including dataset shapes and dtypes **Examples** Basic inspection showing metadata, group tree, and datasets: .. code-block:: bash pharmacon dump pta -i rmsd.pta Print everything in verbose mode (shapes, dtypes): .. code-block:: bash pharmacon dump pta -i rmsd.pta --verbose Show only file-level metadata (hide groups and datasets): .. code-block:: bash pharmacon dump pta -i rmsd.pta \ --disable-group-meta \ --disable-dataset-meta Inspect a merged artifact: .. code-block:: bash pharmacon dump pta -i pli_merged.pta --verbose ---- dump psa -------- Inspect a Pharmacon Structure Analysis (``.psa``) file. **Arguments** .. list-table:: :header-rows: 1 :widths: 35 10 55 * - Flag - Required - Description * - ``-i / --input`` - Yes - Input ``.psa`` file * - ``--disable-file-metadata`` - No - Suppress the file-level metadata panel * - ``--disable-group-meta`` - No - Suppress group-level metadata * - ``--disable-dataset-meta`` - No - Suppress dataset-level metadata * - ``--verbose`` - No - Print extended info including dataset shapes and dtypes **Examples** Basic inspection of a properties file: .. code-block:: bash pharmacon dump psa -i properties.psa Verbose inspection of a sequence file: .. code-block:: bash pharmacon dump psa -i sequence.psa --verbose Show only file-level metadata: .. code-block:: bash pharmacon dump psa -i properties.psa \ --disable-group-meta \ --disable-dataset-meta