SOFT : gnina
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Site du soft: https://github.com/gnina/gnina
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LICENSE:
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Apache-2.0, GPL-2.0 licenses found 

See software documentation for more informations.

Location: /usr/local/bioinfo/src/gnina
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Load binaries and environment:
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-> Version v1.3.2

module load containers/Apptainer/1.4.1
module load bioinfo/gnina/1.3.2

singularity run --nv -B /usr/local/bioinfo/src -B <your_working_folder> $GNINA_HOME/gnina.sif gnina --cpu ...

Warning! By default all cpu are used on the node. Don't forget to adjust --cpu option of gnina and --cpus-per-task option for Slurm.

Example directory for use on cluster:
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/usr/local/bioinfo/src/gnina/example_on_cluster

To submit:  sbatch test_gnina-v1.3.2.sh 

See software documentation and our FAQ (https://vm-genoword.toulouse.inrae.fr/FAQ) for more informations.