Skip to content

Instantly share code, notes, and snippets.

@rtviii
Last active March 22, 2023 21:57
Show Gist options
  • Save rtviii/a9f3efda44db2c96799b1af75f57ac74 to your computer and use it in GitHub Desktop.
Save rtviii/a9f3efda44db2c96799b1af75f57ac74 to your computer and use it in GitHub Desktop.
pymol installation
To be able to `import pymol.cmd` in python scripts, it has to be on PYTHONPATH.
If you are building from source (and not buying from schroedinger), i guess it is the "modules" dir that should end up your path in particular. So, follow the vanilla installation (https://pymolwiki.org/index.php/Linux_Install) but the `setup` step ought to be replaced with the follwoing below, where
`path_to_pymol` is where pymol will be installed
```
python3 setup.py build install --home=path_to_pymol/
--install-lib=path_to_pymol/modules/ --install-scripts=path_to_pymol/
```
After that:
```
export PYMOL_PATH=path_to_pymol/
export PYTHONPATH=$PYTHONPATH:$PYMOL_PATH/modules:
```
or similar
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment