import module error when install through pip

[sky1ove]

when running

python scripts/gen_ccd_cache.py -c release_data/ccd_cache/ -n 32

got this error :

Traceback (most recent call last):
  File "/teamspace/studios/this_studio/Protenix/scripts/gen_ccd_cache.py", line 24, in <module>
    import gemmi
ModuleNotFoundError: No module named 'gemmi'

The error happens when install through pip install protenix, but works fine when under docker environment

[zhangyuxuann]

@sky1ove Thanks for your feedback. The minimum requirement for running inference is pip install protenix. For data preparation or training tasks, we strongly recommend using a Docker environment.

[sky1ove]

Thanks @zhangyuxuann . I think it would be better to clearly explain this on the index page, something like:
“CCD requires preparation, so users may need to first set up the Docker environment to download and initialize the CCD database. After that, the MSA and inference steps can be run using either the pip or Docker environment.”

[zhangyuxuann]

@sky1ove Yes, quiet good suggestion. We will also add gemmi to Pypi packpage in the next release version.