From images to a refined model

Load your images in Process below, add the search model and the sequence, and run. Every program also works on its own tab; outputs are handed to the next program as they finish.

Run the pipeline

Sample name prefix for every file

Leave empty to use the prefix of the X-ray images.

Diffraction images missing

Choose a folder, files or an archive in the Process panel below; datasets are found automatically.

Search model PDB / mmCIFmissing

Drop the search model, or click to browse

Goes to Sextant MR · .pdb, .cif, .gz

Target sequence FASTAoptional

Used by MR (copies, identity), Build and Refine.

Model building

Stop at red decisions (failed indexing or no MR solution) MR tests every space group of the point group (screw axes and enantiomorphs: P4₁2₁2, P4₃22, P3₁21, P3₂21…) Hand outputs to the next program when I run programs by hand

After a run: sample, inputs, time per step, GPU, every metric and decision, and the log, in one file.

Save every step's files automatically

Empties every program, the inputs, the flowchart and the log.

What the pipeline did

not runrunningdone · highly likelydone · checkdone · needs you

Not started. Click any coloured step to open its decision.

Decisions log