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uw-ipd / RoseTTAFold2NA

RoseTTAFold2 protein/nucleic acid complex prediction
MIT License
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Apptainer Def File #86

Open w34sel opened 5 months ago

w34sel commented 5 months ago

Create a Apptainer Def file usage:

Mount the DB's into the container

export APPTAINER_BIND="<local_path>:/opt/RoseTTAFold2NA/bfd,<local_path>:/opt/RoseTTAFold2NA/RNA,<local_path>:/opt/RoseTTAFold2NA/UniRef30_2020_06,<local_path>:/opt/RoseTTAFold2NA/pdb100_2021Mar03"

# run rosetta2nafold
apptainer run --nv <container_name> <output_dir> <fa_filename> <type_RNA_DNA>

-Removed from run_RF2na.sh on both PATHS for WDIR and SCRIPT the "-s" param