Difference between revisions of "CCTBX-fedora32"
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| − | This page describes how to use the Computational Crystallography Toolbox (cctbx) with open-source PyMOL on Fedora 32 which has python3 only installed. | + | |
| + | '''== This page describes how to use the Computational Crystallography Toolbox (cctbx) with open-source PyMOL on Fedora 32 which has python3 only installed. ==''' | ||
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CCTBX and PyMOL need to be compiled with the same Python distribution, otherwise they won't be compatible. | CCTBX and PyMOL need to be compiled with the same Python distribution, otherwise they won't be compatible. | ||
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Confirmed procedure to get this working on Linux Fedora 32 with PyQt5 and CCTBX build dev-2130, which is based on conda: | Confirmed procedure to get this working on Linux Fedora 32 with PyQt5 and CCTBX build dev-2130, which is based on conda: | ||
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Activate cctbx: source /usr/local/cctbx-dev-2130/cctbx_env.csh | Activate cctbx: source /usr/local/cctbx-dev-2130/cctbx_env.csh | ||
| − | Compile PyMOL with: cctbx.python setup.py install | + | Compile PyMOL with: cctbx.python setup.py install |
Install Pmw from https://github.com/schrodinger/pmw-patched with: cctbx.python setup.py install | Install Pmw from https://github.com/schrodinger/pmw-patched with: cctbx.python setup.py install | ||
Run PyMOL with: cctbx.python -m pymol | Run PyMOL with: cctbx.python -m pymol | ||
Revision as of 12:03, 11 May 2020
== This page describes how to use the Computational Crystallography Toolbox (cctbx) with open-source PyMOL on Fedora 32 which has python3 only installed. ==
CCTBX and PyMOL need to be compiled with the same Python distribution, otherwise they won't be compatible.
Confirmed procedure to get this working on Linux Fedora 32 with PyQt5 and CCTBX build dev-2130, which is based on conda:
Download cctbx from http://cci.lbl.gov/cctbx_build
Install cctbx: ./install --prefix=/usr/local
Install latest Miniconda3 from https://repo.anaconda.com/miniconda
Install pymol dependencies with conda into the cctbx environment : /usr/local/miniconda3/bin/conda install -p /usr/local/cctbx-dev-2130/conda_base -c conda-forge glew freeglut libpng freetype libxml2 msgpack-c pyqt glm catch2 libnetcdf
Download mmtf-cpp from https://github.com/rcsb/mmtf-cpp and copy the content of the include subdirectory to /usr/local/cctbx-dev-2130/conda_base/include
Activate cctbx: source /usr/local/cctbx-dev-2130/cctbx_env.csh
Compile PyMOL with: cctbx.python setup.py install
Install Pmw from https://github.com/schrodinger/pmw-patched with: cctbx.python setup.py install
Run PyMOL with: cctbx.python -m pymol