Commit a81bce48 authored by jspiegel's avatar jspiegel

update changelog

parent d24c3d69
......@@ -17,6 +17,9 @@ WIP (4.0.1)
`$PATH/autogrow4/autogrow/operators/convert_files/conversion_to_3d.py` with
debugging instructions if Gypsum-Dl produced are no SDF files. `raise
Exception` added to `def convert_sdf_to_pdbs`.
* Add `raise Exception` in
`$PATH/autogrow4/docker/autogrow_in_docker.py` to check for `sudo` and administer
privileges.
* Added a AutoGrow4 citation to the print statement and `RunAutogrow.py`.
* Revised `./docker/README.md` to clarify docker use.
* Updated the docker scripts. Bug fixes, added `--rm` to the docker command,
......
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