SOFT : ChimeraX
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Site du soft: https://github.com/RBVI/ChimeraX
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LICENSE:
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Free of charge for academic, government, nonprofit, and personal use.
Commercial users, please see ChimeraX commercial licensing.

See software documentation for more informations.

Location: /usr/local/bioinfo/src/ChimeraX
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Load binaries and environment:
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-> Version v1.12 (only CPU run, don't detect GPU with X11)

module load containers/Apptainer/1.4.1
module load bioinfo/ChimeraX/1.12

To use in batch mode see example: singularity exec --nv -B path_to_your_working_dir -B /usr/local/bioinfo/src/ChimeraX-v1.12 $CHIM_HOME/chimerax.sif chimerax ...

To run in GUI mode:

- on calcul node:

Need to be in graphical mode connection to genobioinfo server:
ssh -X <login>@genobioinfo.toulouse.inrae.fr

Connect in graphical mode on (see FAQ: https://vm-genoword.toulouse.inrae.fr/FAQ/faq/job-submission/#interactive-with-x11-forwarding)
$ srun --x11 --mem=4G --pty bash
$ module load containers/Apptainer/1.4.1
$ module load bioinfo/ChimeraX/1.12
$ singularity exec --nv -B path_to_your_working_dir -B /usr/local/bioinfo/src/ChimeraX/ChimeraX-v1.12 $CHIM_HOME/chimerax.sif chimerax 

Or you can run it on Linux Desktop access on Visu node: https://vm-genoword.toulouse.inrae.fr/FAQ/tutorials/ood-linux/

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

To submit: sbatch test_ChimeraX-v1.12.sh

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