jscgh

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icon company The University of New South Wales (UNSW Sydney) icon location Sydney, Australia icon location Structural Biology GPU HPC @unsw-edu-au

Results 13 comments of jscgh

Separate in different mmcif files and obsolete pdbs provided to alphafold2

Closed by https://github.com/nf-core/proteinfold/pull/255 and https://github.com/nf-core/proteinfold/pull/287

Convert Stockholm format MSAs to more efficient a3m format before emitting to publishdir

A quick fix we used is adding a compression step to afterScript. A similar script could be added to the module's `main.nf` ``` withName: 'RUN_ALPHAFOLD2_MSA|RUN_ALPHAFOLD2' { afterScript = """ find...

Add Boltz

Implemented in PR https://github.com/nf-core/proteinfold/pull/227.