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.

---

dump pta

Inspect a Pharmacon Trajectory Analysis (.pta) file.

Arguments

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:

pharmacon dump pta -i rmsd.pta

Print everything in verbose mode (shapes, dtypes):

pharmacon dump pta -i rmsd.pta --verbose

Show only file-level metadata (hide groups and datasets):

pharmacon dump pta -i rmsd.pta \
    --disable-group-meta \
    --disable-dataset-meta

Inspect a merged artifact:

pharmacon dump pta -i pli_merged.pta --verbose

---

dump psa

Inspect a Pharmacon Structure Analysis (.psa) file.

Arguments

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:

pharmacon dump psa -i properties.psa

Verbose inspection of a sequence file:

pharmacon dump psa -i sequence.psa --verbose

Show only file-level metadata:

pharmacon dump psa -i properties.psa \
    --disable-group-meta \
    --disable-dataset-meta