This is a Python package to assist in handling mmCIF and BinaryCIF files compliant with the integrative/hybrid modeling (IHM) extension. It works with Python 3.6 or later.
To handle non-integrative theoretical models (for example, homology models), see the python-modelcif package which supports files compliant with the ModelCIF extension.
Please see the documentation or some worked examples for more details.
Installation with conda, Homebrew or pip
If you are using Anaconda Python, install with
conda install -c conda-forge ihm
On a Mac with Homebrew, install with
brew tap salilab/salilab; brew install ihm
On a Fedora or RedHat Enterprise Linux box, install with
dnf copr enable salilab/salilab; dnf install python3-ihm
On an Ubuntu LTS box, install from our PPA with
apt install software-properties-common; add-apt-repository ppa:salilab/ppa;
apt install python3-ihm
Alternatively, install with pip:
pip install ihm
(Note that pip builds a C extension module for faster reading of mmCIF and BinaryCIF files. This requires that your system has a C compiler. If you don't have a C compiler available, the library will read files using pure Python instead.)
Installation from source code
To build and install from a clone of the GitHub repository, run
python setup.py build
python setup.py install
Note that this will attempt to build a C extension module for faster reading of mmCIF and BinaryCIF files. This requires that your system has a C compiler and SWIG. If either of these components are missing, the library will fall back to reading files using pure Python instead.
If you want to write BinaryCIF files (or to read them without the C extension module), you will also need the Python msgpack package.
Testing
There are a number of testcases in the test directory. Each one can be run
like a normal Python script to test the library. They can also be all run at
once using nose
or pytest. They will also test
the C extension module if it is first built with
python setup.py build_ext --inplace.
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Metadata
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Release files for ihm 2.11
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Source distribution (sdist)
| File | Size | Uploaded | |
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| ihm-2.11.tar.gz | 414.3 kB | Details |
Release files / ihm-2.11.tar.gz
| Download URL | ihm-2.11.tar.gz |
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