A publicly available repository of curated receptors, ligands and their interactions. Subunit architecture is included for both ligands and receptors, representing heteromeric complexes accurately.
Allocate an interactive session and run the program.
Sample session (user input in bold):
[user@biowulf ~]$ sinteractive --cpus-per-task=4 --mem=16G --gres=lscratch:10 salloc.exe: Pending job allocation 41538656 salloc.exe: job 41538656 queued and waiting for resources salloc.exe: job 41538656 has been allocated resources salloc.exe: Granted job allocation 41538656 salloc.exe: Waiting for resource configuration salloc.exe: Nodes cn3114 are ready for job srun: error: x11: no local DISPLAY defined, skipping [user@cn3114 ~]$ cd /data/$USER [user@cn3114 user]$ git clone https://github.com/ventolab/cellphonedb.git Cloning into 'cellphonedb'... remote: Enumerating objects: 15, done. remote: Counting objects: 100% (15/15), done. remote: Compressing objects: 100% (14/14), done. remote: Total 9381 (delta 1), reused 4 (delta 1), pack-reused 9366 Receiving objects: 100% (9381/9381), 61.54 MiB | 24.54 MiB/s, done. Resolving deltas: 100% (7066/7066), done. Checking out files: 100% (368/368), done. [user@cn3114 user]$ cd cellphonedb/in/example_data/ [user@cn3114 user]$ git checkout v3.1.0 [user@cn3114 example_data]$ module load cellphonedb [-] Unloading cellphonedb 3.1.0 on cn4294 [-] Unloading singularity 4.0.1 on cn4294 [+] Loading cellphonedb 3.1.0 on cn4294 [+] Loading singularity 4.0.1 on cn4294 [user@cn3114 example_data]$ cellphonedb database download --version v3.0.0 [ ][APP][15/11/19-07:54:45][INFO] Downloading release v3.0.0 of CellPhoneDB database [ ][APP][15/11/19-07:54:46][INFO] Download completed! [ ][APP][15/11/19-07:54:46][INFO] Copying database to /home/$USER/.cpdb/releases/v3.0.0 [user@cn3114 example_data]$ cellphonedb method statistical_analysis test_meta.txt test_counts.txt [ ][APP][08/11/19-18:25:15][WARNING] Latest local available version is `v2.0.0`, using it [ ][APP][08/11/19-18:25:15][WARNING] User selected downloaded database `v2.0.0` is available, using it [ ][CORE][08/11/19-18:25:15][INFO] Initializing SqlAlchemy CellPhoneDB Core [...snip...]
Create a batch input file (e.g. cellphonedb.sh). For example:
#!/bin/bash set -e module load cellphonedb cd /data/$USER/cellphonedb/in/example_data/ cellphonedb method statistical_analysis test_meta.txt test_counts.txt
Submit this job using the Slurm sbatch command.
sbatch [--cpus-per-task=#] [--mem=#] cellphonedb.sh
Create a swarmfile (e.g. cellphonedb.swarm). For example:
cellphonedb method analysis 1meta.txt 1counts.txt cellphonedb method analysis 2meta.txt 2counts.txt cellphonedb method analysis 3meta.txt 3counts.txt cellphonedb method analysis 4meta.txt 4counts.txt
Submit this job using the swarm command.
swarm -f cellphonedb.swarm [-g #] [-t #] --module cellphonedbwhere
-g # | Number of Gigabytes of memory required for each process (1 line in the swarm command file) |
-t # | Number of threads/CPUs required for each process (1 line in the swarm command file). |
--module cellphonedb | Loads the cellphonedb module for each subjob in the swarm |