API - Documentation

Here we offer an API (Application Programming Interface) to assist users in integrating DDMuffin into their research pipelines.

In summary, all jobs submitted to our server are labelled with a unique ID which is used to query the status (in queue, processing, processed).

DDMuffin allows for five distinct types of submissions:

Affinity Prediction - http://biosig.lab.uq.edu.au/ddmuffin/api/affinity
POST - Job Submission

Arguments

  • pdb_accession (optional) - 4 character PDB code
  • pdb_file (optional) - file in PDB format
  • lig_id (required) - Ligand 3-letter code in the PDB file
  • email (optional) - Email for contact when the job is finished

Return

  • job_id - ID used for uniquely identify each job

Examples

  • curl

    $ curl https://biosig.lab.uq.edu.au/ddmuffin/api/affinity -X POST -i -F pdb_file=@/home/ubuntu/1jaq.pdb -F lig_id=01S

    HTTP/1.0 200 OK

    Content-Type: application/json

    Content-Length: 38

    Date: Fri, 21 Feb 2025 04:36:23 GMT

    {

    "job_id": "17005413833647785"

    }

GET - Retrieve Job Results

Arguments

  • job_id - ID used for uniquely identify each job. Generated upon submission

Return

For jobs still being processed or waiting on queue, the message below will be returned from querying this endpoint:
  • message - RUNNING
For jobs successfully processed by DDMuffin, the following data will be returned:
  • prediction -

Examples

  • curl

    $ curl https://biosig.lab.uq.edu.au/ddmuffin/api/affinity -X GET -F job_id=17005413833647785

    HTTP/1.0 200 OK

    Content-Type: application/json

    Content-Length: 33

    Date: Wed, 10 Jun 2022 05:10:59 GMT

    {

    "job_id": "17005413833647785",

    "status": "DONE",

    "prediction": 6.74,

    "ligand": 01S,

    "results_page": "https://biosig.lab.uq.edu.au/ddmuffin/results_prediction/17005413833647785",

    }

Single Mutation Prediction - http://biosig.lab.uq.edu.au/ddmuffin/api/mutation_single
POST - Job Submission

Arguments

  • pdb_accession (optional) - 4 character PDB code
  • pdb_file (optional) - file in PDB format
  • chain (required) - Chain identifier
  • mutation(required) - Point mutation code (aaFrom + residueNumber + aaTo)
  • lig_id (required) - Ligand 3-letter code in the PDB file
  • email (optional) - Email for contact when the job is finished

Return

  • job_id - ID used for uniquely identify each job

Examples

  • curl

    $ curl https://biosig.lab.uq.edu.au/ddmuffin/api/mutation_single -X POST -i -F pdb_file=@/home/ubuntu/1jaq.pdb -F mutation=A161G -F chain=A -F lig_id=01S

    HTTP/1.0 200 OK

    Content-Type: application/json

    Content-Length: 38

    Date: Fri, 21 Feb 2025 04:36:23 GMT

    {

    "job_id": "17005413833647785"

    }

GET - Retrieve Job Results

Arguments

  • job_id - ID used for uniquely identify each job. Generated upon submission

Return

For jobs still being processed or waiting on queue, the message below will be returned from querying this endpoint:
  • message - RUNNING
For jobs successfully processed by DDMuffin, the following data will be returned:
  • prediction -

Examples

  • curl

    $ curl https://biosig.lab.uq.edu.au/ddmuffin/api/mutation_single -X GET -F job_id=17005413833647785

    HTTP/1.0 200 OK

    Content-Type: application/json

    Content-Length: 33

    Date: Fri, 21 Feb 2025 05:10:59 GMT

    {

    "job_id": "17005413833647785",

    "status": "DONE",

    "prediction": -1.25,

    "chain": "A",

    "position": 161,

    "wild-type": "ALA",

    "mutant": "GLY",

    "ligand": "01S"

    "results_page": "https://biosig.lab.uq.edu.au/ddmuffin/results_prediction/17005413833647785",

    }

Mutation List Prediction - http://biosig.lab.uq.edu.au/ddmuffin/api/mutation_list
POST - Job Submission

Arguments

  • pdb_accession (optional) - 4 character PDB code
  • pdb_file (optional) - file in PDB format
  • mutation_list (required) - .txt or .csv file with mutation list. One mutation code per line (aaFrom + residueNumber + aaTo). Limited up to 500 mutations.
  • lig_id (required) - Ligand 3-letter code in the PDB file

Return

  • job_id - ID used for uniquely identify each job

Examples

  • curl

    $ curl https://biosig.lab.uq.edu.au/ddmuffin/api/mutation_list -X POST -i -F pdb_file=@/home/ubuntu/1cse.pdb -F mutations_list=@/home/ubuntu/mutations.txt -F lig_id=01S

    HTTP/1.0 200 OK

    Content-Type: application/json

    Content-Length: 33

    Date: Sun, 23 Feb 2025 05:15:45 GMT

    {

    "job_id": "17005437412529573"

    }

GET - Retrieve Job Results

Arguments

  • job_id - ID used for uniquely identify each job. Generated upon submission

Return

For jobs still being processed or waiting on queue, the message below will be returned from querying this endpoint:
  • message - RUNNING
For jobs successfully processed by DDMuffin, the following data will be returned:
  • Array list of results (in json format) for each mutation identified with a sequencial identifying number

Examples

  • curl

    $ curl https://biosig.lab.uq.edu.au/ddmuffin/api/mutation_list -X GET -F job_id=16649535589333909

    {

    "job_id": "16649535589333909",

    "status": "DONE",

    "results_page": "http://10.50.192.76:5000/results_prediction/16649535589333909",

    "A_A161G": {

    "chain": "A",

    "wild-type": "A",

    "mutant": "G",

    "position": "161",

    "ligand": "01S",

    "prediction": -1.49,

    "outcome": "Decreasing"

    },

    "A_A161P": {

    "chain": "A",

    "wild-type": "A",

    "mutant": "P",

    "position": "161",

    "ligand": "01S",

    "prediction": -0.82,

    "outcome": "Decreasing"

    },

    ...

    }

Alanine Scanning - http://biosig.lab.uq.edu.au/ddmuffin/api/pocket
POST - Job Submission

Arguments

  • pdb_accession (optional) - 4 character PDB code
  • pdb_file (optional) - file in PDB format
  • lig_id (required) - Ligand 3-letter code in the PDB file

Return

  • job_id - ID used for uniquely identify each job

Examples

  • curl

    $ curl https://biosig.lab.uq.edu.au/ddmuffin/api/pocket -X POST -i -F pdb_file=@/home/ubuntu/1cse.pdb -F analysis_type='alascan' -F lig_id=01S

    HTTP/1.0 200 OK

    Content-Type: application/json

    Content-Length: 33

    Date: Sun, 23 Feb 2025 05:10:59 GMT

    {

    "job_id": "16705716575422666"

    }

GET - Retrieve Job Results

Arguments

  • job_id - ID used for uniquely identify each job. Generated upon submission

Return

For jobs still being processed or waiting on queue, the message below will be returned from querying this endpoint:
  • message - RUNNING
For jobs successfully processed by DDMuffin, the following data will be returned:
  • Array list of results (in json format) for each mutation identified with a sequential identifying number

Examples

  • curl

    $ curl https://biosig.lab.uq.edu.au/ddmuffin/api/pocket -X GET -F job_id=16705716575422666

    {

    "job_id": "16705716575422666",

    "status": "DONE",

    "results_page": "http://10.50.192.76:5000/results_prediction/16705716575422666",

    "A_Y219A": {

    "chain": "A",

    "wild-type": "Y",

    "mutant": "A",

    "position": "219",

    "ligand": "01S",

    "prediction": -2.26,

    "outcome": "Decreasing"

    },

    "A_H162A": {

    "chain": "A",

    "wild-type": "H",

    "mutant": "A",

    "position": "162",

    "ligand": "01S",

    "prediction": -1.53,

    "outcome": "Decreasing"

    },

    ...

    }

Saturation Mutagenesis - http://biosig.lab.uq.edu.au/ddmuffin/api/pocket
POST - Job Submission

Arguments

  • pdb_accession (optional) - 4 character PDB code
  • pdb_file (optional) - file in PDB format
  • lig_id (required) - Ligand 3-letter code in the PDB file

Return

  • job_id - ID used for uniquely identify each job

Examples

  • curl

    $ curl https://biosig.lab.uq.edu.au/ddmuffin/api/pocket -X POST -i -F pdb_file=@/home/ubuntu/1cse.pdb -F analysis_type='satmut' -F lig_id=01S

    HTTP/1.0 200 OK

    Content-Type: application/json

    Content-Length: 33

    Date: Sun, 23 Feb 2025 05:10:59 GMT

    {

    "job_id": "16705716575422666"

    }

GET - Retrieve Job Results

Arguments

  • job_id - ID used for uniquely identify each job. Generated upon submission

Return

For jobs still being processed or waiting on queue, the message below will be returned from querying this endpoint:
  • message - RUNNING
For jobs successfully processed by DDMuffin, the following data will be returned:
  • Array list of results (in json format) for each mutation identified with a sequential identifying number

Examples

  • curl

    $ curl https://biosig.lab.uq.edu.au/ddmuffin/api/pocket -X GET -F job_id=16705716575422666

    {

    "job_id": "16705716575422666",

    "status": "DONE",

    "results_page": "http://10.50.192.76:5000/results_prediction/16705716575422666",

    "A_Y219A": {

    "chain": "A",

    "wild-type": "Y",

    "mutant": "A",

    "position": "219",

    "ligand": "01S",

    "prediction": -2.26,

    "outcome": "Decreasing"

    },

    "A_H162A": {

    "chain": "A",

    "wild-type": "H",

    "mutant": "A",

    "position": "162",

    "ligand": "01S",

    "prediction": -1.53,

    "outcome": "Decreasing"

    },

    ...

    }