Antibody design · Sequence prediction · Protein Design

IgDesign API

Design antibody CDRs against a target antigen by inverse folding.

Runs IgDesign, which conditions on an antigen-antibody complex structure plus the antibody framework sequence and samples new sequences for the CDRs it is given explicit position ranges for. IgDesign's own configuration format takes those ranges directly rather than a numbering scheme, so this does too.

Web form Documentation ↗ Home page ↗ Source code ↗

Submit POST /api/igdesign/

Queues a run and returns 202 with the job.

Schema GET /api/igdesign/

Returns this tool's metadata and the fields below, as JSON.

Request body

Fields

The same names the web form posts. See the field type table for what each kind means over HTTP.

Name	Type	Required	Default	Description
`job_name`	string text	no	`igdesign-demo`	Job name
`complex_pdb`	string file	yes	`HEADER PASTE AN ANTIGEN-ANTIBODY COMPLEX PDB HERE`	Antigen-antibody complex PDB The framework and antigen are read from this structure; the designed loops are resampled. file types .pdb,.ent,.cif.
`antigen_chain`	string text	yes	`A`	Antigen chain up to 4 characters.
`heavy_chain`	string text	yes	`H`	Heavy-chain ID up to 4 characters.
`light_chain`	string text	yes	`L`	Light-chain ID up to 4 characters.
`regions`	string textarea	yes	`hcdr3:heavy:96-108`	Regions to design One per line, as region:chain:start-end using 1-indexed positions within that chain, for example hcdr3:heavy:96-108. Designed in the order listed. IgDesign's own example configs are the reference for picking these ranges.
`num_sequences`	number number	no	`10`	Sequences to sample minimum 1, maximum 1000.
`temperature`	number number	no	`0.5`	Sampling temperature minimum 0.01, maximum 2, step 0.05.
`seed`	number number	no	`0`	Random seed minimum 0, maximum 2147483647.

Example

A request that runs

These are the defaults, exactly as the web form would post them.

curl -X POST https://www.athanortools.com/api/igdesign/ \
  -H 'Content-Type: application/json' \
  -d '{
  "job_name": "igdesign-demo",
  "complex_pdb": "HEADER    PASTE AN ANTIGEN-ANTIBODY COMPLEX PDB HERE",
  "antigen_chain": "A",
  "heavy_chain": "H",
  "light_chain": "L",
  "regions": "hcdr3:heavy:96-108",
  "num_sequences": 10,
  "temperature": 0.5,
  "seed": 0
}'

The reply is 202 with a queued job; poll its status_url until status is succeeded or failed. See the quick start for the whole exchange.

Responses

What comes back

status	Meaning
`queued`	Accepted, waiting for the jobs ahead of it. `position` counts how many those are.
`running`	The tool is executing now.
`succeeded`	Finished; `result` holds the tool's output and `license` the terms it came under.
`failed`	Finished; `error` holds a code and a message.

Errors

code	Meaning
`invalid_input`	The client supplied invalid or incomplete input.
`tool_unavailable`	The requested third-party dependency is not available on this host.
`execution_failed`	A configured third-party process exited unsuccessfully.
`internal_error`	An adapter failed in a way it does not describe. The detail is in the server log, not the response.
`not_found`	No job has that id. Finished jobs are dropped eventually.