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benmwebb committed Jan 8, 2024
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4 changes: 2 additions & 2 deletions README.md
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[![Windows Build Status](https://ci.appveyor.com/api/projects/status/5o28oe477ii8ur4h?svg=true)](https://ci.appveyor.com/project/benmwebb/python-ihm)
[![codecov](https://codecov.io/gh/ihmwg/python-ihm/branch/main/graph/badge.svg)](https://codecov.io/gh/ihmwg/python-ihm)

This is a Python package to assist in handling [mmCIF](http://mmcif.wwpdb.org/)
This is a Python package to assist in handling [mmCIF](https://mmcif.wwpdb.org/)
and [BinaryCIF](https://github.com/dsehnal/BinaryCIF) files compliant with the
[integrative/hybrid modeling (IHM)](http://mmcif.wwpdb.org/dictionaries/mmcif_ihm.dic/Index/)
[integrative/hybrid modeling (IHM)](https://mmcif.wwpdb.org/dictionaries/mmcif_ihm_ext.dic/Index/)
extension. It works with Python 2.7 or Python 3.

To handle non-integrative theoretical models (for example, homology models),
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6 changes: 3 additions & 3 deletions docs/design.rst
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Expand Up @@ -27,7 +27,7 @@ Types rather than enums
Where the underlying IHM mmCIF dictionary uses an enumeration, generally this
corresponds to separate sibling classes in this package. For example, two
datasets which differ only in their ``data_type``
`in the dictionary <http://mmcif.wwpdb.org/dictionaries/mmcif_ihm.dic/Items/_ihm_dataset_list.data_type.html>`_
`in the dictionary <https://mmcif.wwpdb.org/dictionaries/mmcif_ihm.dic/Items/_ihm_dataset_list.data_type.html>`_
(such as a electron microscopy density map and small angle scattering data)
are represented with two classes in this package:
:class:`ihm.dataset.EMDensityDataset` and :class:`ihm.dataset.SASDataset`.
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members pointing to other objects as appropriate. IDs are not used to look
up other objects, and are only used internally to populate the tables.
For example, to group multiple models together, the dictionary assigns all of
the models the same `model_group_id <http://mmcif.wwpdb.org/dictionaries/mmcif_ihm.dic/Items/_ihm_model_list.model_group_id.html>`_
the models the same `model_group id <https://mmcif.wwpdb.org/dictionaries/mmcif_ihm_ext.dic/Categories/ihm_model_group.html>`_
while in the Python package the :class:`ihm.model.Model` objects are placed
into a :class:`ihm.model.ModelGroup` object, which acts like a simple Python
list.
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=============

The classes in this package roughly correspond to
`categories <http://mmcif.wwpdb.org/dictionaries/mmcif_ihm.dic/Categories/index.html>`_
`categories <https://mmcif.wwpdb.org/dictionaries/mmcif_ihm.dic/Categories/index.html>`_
in the underlying IHM mmCIF dictionary. This allows for simple output of
mmCIF formatted files, but also allows for the potential future support for
other file formats that support the dictionary or a subset of it, such
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2 changes: 1 addition & 1 deletion docs/introduction.rst
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Once created, this set of Python objects can be written to an mmCIF file
that is compliant with the
`IHMCIF extension <https://github.com/ihmwg/IHMCIF>`_
to the `PDBx/mmCIF dictionary <http://mmcif.wwpdb.org/>`_,
to the `PDBx/mmCIF dictionary <https://mmcif.wwpdb.org/>`_,
suitable for deposition in the
`PDB-Dev repository <https://pdb-dev.wwpdb.org/>`_. The files are best viewed
in a viewer that supports IHMCIF, such as
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