Difference between revisions of "CCTBX"
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| − | + | This page describes how to use the [https://github.com/cctbx/cctbx_project Computational Crystallography Toolbox (cctbx)] with PyMOL. | |
| − | [[Category:PyMol_Integration| | + | cctbx and PyMOL need to be compiled with the same Python distribution, otherwise they won't be compatible. |
| + | |||
| + | === Incentive PyMOL === | ||
| + | |||
| + | Create a [https://repo.continuum.io/miniconda/ conda] environment with [https://anaconda.org/schrodinger/pymol schrodinger::pymol] and [https://anaconda.org/conda-forge/cctbx-base conda-forge::cctbx-base]. | ||
| + | |||
| + | On Linux and Windows: | ||
| + | |||
| + | <syntaxhighlight lang="bash">conda create -n env1 schrodinger::pymol conda-forge::cctbx-base</syntaxhighlight> | ||
| + | |||
| + | On macOS, you also need [https://anaconda.org/schrodinger/pymol schrodinger::tk] and [https://www.xquartz.org/ XQuartz]: | ||
| + | |||
| + | <syntaxhighlight lang="bash">conda create -n env1 schrodinger::pymol conda-forge::cctbx-base schrodinger::tk</syntaxhighlight> | ||
| + | |||
| + | === Open-Source PyMOL === | ||
| + | |||
| + | See [[CCTBX-fedora32]]. | ||
| + | |||
| + | [[Category:PyMol_Integration|cctbx]] | ||
Latest revision as of 05:22, 24 September 2020
This page describes how to use the Computational Crystallography Toolbox (cctbx) with PyMOL.
cctbx and PyMOL need to be compiled with the same Python distribution, otherwise they won't be compatible.
Incentive PyMOL
Create a conda environment with schrodinger::pymol and conda-forge::cctbx-base.
On Linux and Windows:
conda create -n env1 schrodinger::pymol conda-forge::cctbx-base
On macOS, you also need schrodinger::tk and XQuartz:
conda create -n env1 schrodinger::pymol conda-forge::cctbx-base schrodinger::tk
Open-Source PyMOL
See CCTBX-fedora32.