How to make mmcif_bioassembly.pkl.gz data

[fuxuliu]

Hi.

I noticed that you processed the RAW data of mmcif/mmcif bioassembly into a file in pkl.gz format, which contains relevant data of mmcif/mmcif bioassembly. Such as atom array data in AtomArray format and TokenArray token array data, such as AtomArray contains more meta info about the target.

Now I want to process a raw data of an mmcif/mmcif bioassembly into a file of the same format, so that I can conduct some experiments on your pipeline. Could you please provide a relevant script or tool to realize such processing and conversion?

Thanks.

[willx-y]

We used some seperate scripts and distributed pipelines to create bioassembly dict, so there is no single script ready to release yet.
We may need some extra work to prepare this, and there is no time expectation for this yet.