pegi3s/i-tasser_server
I-TASSER (https://zhanglab.ccmb.med.umich.edu/I-TASSER/) docker image.
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This image facilitates the usage of I-TASSER (Iterative Threading ASSEmbly Refinement) Online Server, a hierarchical approach to protein structure prediction and structure-based function annotation.
You should adapt and run the following command:
docker run --rm -v /your/data/dir:/data pegi3s/i-tasser_server bash -c "/opt/run /data/inputFolder /data/outputFolder"
In this command, you should replace:
/your/data/dir
to point to the directory that contains the input folder with the multi FASTA file with the residues you want to analyze, as well as a file with your I-TASSER account information. Additionally, this will be the same directory where a folder with the results will be created./inputFolder
to point to the folder that contains the multi FASTA file and the file with your I-TASSER access credentials (see Note 2
further below)./outputFolder
to point to the folder where the sub-folders with the results for each submitted job will be saved. For each sequence present in the input file you provided, a new folder will be created where these results will be.You have the option to run the image without specifying the /inputFolder
and the /outputFolder
. If that is the case, this image will assume you have your input data in a folder named /input
inside /your/data/dir
and additionally will save the results in a new folder, named /Results_I-TASSER
. For this, adapt and run the command:
docker run --rm -v /your/data/dir:/data pegi3s/i-tasser_server bash -c "/opt/run"
In order to successfully submit each job, you need to create a file called parameters.itasser
filled with the following information:
-F REPLY-E-MAIL="your_email_address" -F password="your_password"
which must be in the same folder as your input FASTA file. Registration is mandatory for submission and can be done here.
For Developers: To see Formfind information
, just run: cat ./opt/info
.
docker pull pegi3s/i-tasser_server