Package: python3-ihm
Source: python-ihm
Version: 2.11-1
Architecture: amd64
Maintainer: Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
Original-Maintainer: Debian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
Installed-Size: 890
Depends: python3-msgpack, python3:any
Section: python
Priority: optional
Homepage: https://github.com/ihmwg/python-ihm
Description: handles mmCIF protein structural data
 This Python package assists in handling mmCIF and BinaryCIF files
 compliant with the integrative/hybrid modeling (IHM) extension.
 To handle non-integrative theoretical models (for example, homology
 models), see the python-modelcif package which supports files compliant
 with the ModelCIF extension.
 .
 Provided mechanisms to describe an integrative modeling application includes:
  * the data used for the modeling, such as previous computional models from
    comparative or integrative modeling, and experimental datasets from
    X-ray crystallography, mass spectrometry, electron microscopy;
  * the protocol used to generate models, such as molecular dynamics,
    clustering, and rescoring;
  * the actual coordinates of output models, which may be multi-scale
    (including both atomic coordinates and more coarse-grained
    representations), multi-state (multiple conformations and/or compositions
    of the system needed to explain the input data), or ordered (such as
    different points in a chemical reaction);
  * grouping of multiple models into ensembles or clusters;
  * validation of models, for example by scoring against data not used in the
    modeling itself.
 .
 Once created, such a set of Python objects can be written to an mmCIF
 file that is compliant with the IHMCIF extension to the PDBx/mmCIF
 dictionary, suitable for deposition in the PDB-IHM repository. The files
 are best viewed in a viewer that supports IHMCIF, such as UCSF ChimeraX,
 although they may be partially viewable in regular PDBx mmCIF viewers
 (likely only the atomic coordinates will be visible).
