CCTBX-fedora32: Difference between revisions
(Created page with "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...") |
No edit summary |
||
| Line 9: | Line 9: | ||
Download cctbx from http://cci.lbl.gov/cctbx_build | Download cctbx from http://cci.lbl.gov/cctbx_build | ||
Install cctbx: ./install --prefix=/usr/local | Install cctbx: ./install --prefix=/usr/local | ||
Install latest Miniconda3 from https://repo.anaconda.com/miniconda | Install latest Miniconda3 from https://repo.anaconda.com/miniconda | ||
Install pymol dependencies with conda into the cctbx environment : | 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 | /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 | 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 | Activate cctbx: source /usr/local/cctbx-dev-2130/cctbx_env.csh | ||
Compile PyMOL with: cctbx.python setup.py install (see Linux Install for details) | Compile PyMOL with: cctbx.python setup.py install (see Linux Install for details) | ||
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 11:00, 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.
Open-Source PyMOL
Linux 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 (see Linux Install for details)
Install Pmw from https://github.com/schrodinger/pmw-patched with: cctbx.python setup.py install
Run PyMOL with: cctbx.python -m pymol