mmtbx.monomer_library.server.MonomerLibraryServerError: Cannot find CCP4 monomer library. Please define one of these environment variables: MMTBX_CCP4_MONOMER_LIB, CLIBD_MON

[ghliu521]

mmtbx.monomer_library.server.MonomerLibraryServerError: Cannot find CCP4 monomer library. Please define one of these environment variables: MMTBX_CCP4_MONOMER_LIB, CLIBD_MON

I have installed chem_data as the instruction requires:
conda install -c cctbx cctbx_monomer_library

Does anyone know how to fix this issue?

[bkpoon]

What command did you run to get the error?

Can you verify the exact commands you used to create your conda environment? There is no cctcx_monomer_library package in the cctbx channel.

[ghliu521]

Thanks for you reply. I download the chem_data from your release:

But I don't know how to use it after installing it in my conda virtual envionment. The commands I used in jupyter notebbok is
! python3 {reduce2} {reduce_noHPDB} "{reduce_opts}" --overwrite --quiet

[bkpoon]

Here are my steps for creating a Jupyter environment with cctbx-base and chem_data.

conda create -n test jupyter cctbx-base python=3.11
conda activate jupyter
conda install chem_data-2025.10-pyhe0d8492_0.conda

Then, to run reduce2, you can run the mmtbx.reduce2 command from the terminal

mmtbx.reduce2 {noHPDB} {reduce_opts} --overwrite --quiet

or start a Jupyter notebook to run

!mmtbx.reduce2 {noHPDB} {reduce_opts} --overwrite --quiet