PyMOL+
Render molecular still images from structure files using PyMOL-style selections and layers.
Overview
- Fast batch stills of predicted structures.
- Presentation and documentation renders with chain, ligand, or residue highlighting.
- Optional video output when a selected mode needs frame-by-frame structure review.
Modes
| Mode | Input shape | When to use it |
|---|---|---|
still_imageStill Image Default |
Uses one selected file/source when file parameters are present. | Render one still PNG or multi-view PNG from a structure. |
batch_stillsBatch Stills |
Consumes a folder or output set; useful for batches and pipeline handoffs. | Render all supported structures in the selected source as stills. |
turntable_animationTurntable Animation |
Consumes a folder or output set; useful for batches and pipeline handoffs. | Render video outputs for structures in the selected source. |
trajectory_animationTrajectory Animation |
Uses one selected file/source when file parameters are present. | Render a video through the states of a multi-state structure. |
Canonical Job Configuration
These are the fields exposed by the default job configuration for pymolplus. They are also returned by GET /api/v1/program/params?program=pymolplus and submitted as the params JSON object to POST /api/v1/job/submit.
| Parameter | Type | Modes | What it does |
|---|---|---|---|
structureStructure |
Structure file | Still Image, Trajectory Animation | Choose a molecular structure file. Required; Files: .pdb, .ent, .pqr, .cif, .mmcif, .mmtf, .mol2, .sdf |
backgroundBackground |
Text | All modes | Background color for images and video frames. Default: Black; Options: Black, White, Transparent |
resolutionResolution |
Integer | All modes | Pixel width/height per rendered tile. Default: 768; Range: 256-2048 |
layersLayers |
Repeatable group | All modes | Add one or more visual layers. Select residues in the structure preview, then use them as a layer selector. Required; Default: [{"color":"By Chain","representation":"Cartoon","selector":"all"}]; Items: 1-12 |
layers.selectorSelector |
Text | All modes | PyMOL selector or a residue selector. Examples: all, chain A, resn ZN, organic, or A10,A12-20. Required |
layers.representationRepresentation |
Text | All modes | Default: Cartoon; Options: Cartoon, Spheres, Sticks, Surface, Lines, Mesh, Dots |
layers.colorColor |
Text | All modes | Default: By Chain; Options: By Chain, By Element, Gray, Gray70, Marine, Cyan, Green, Limegreen, Yellow, Orange, Red, Blue, Magenta, White, Black |
view_countViews |
Integer | Still Image | Set above 1 to render a multi-view still-image collage. Default: 1; Range: 1-12 |
batch_rowsBatch Rows |
Integer | Batch Stills, Turntable Animation | Rows in each batch collage. Default: 1; Range: 1-4 |
batch_colsBatch Columns |
Integer | Batch Stills, Turntable Animation | Columns in each batch collage. Default: 1; Range: 1-4 |
batch_orderBatch Order |
Text | Batch Stills, Turntable Animation | Whether to render structures in folder order or randomize selection. Default: Folder Order; Options: Folder Order, Random Sample |
batch_limitMax Batch Outputs |
Integer | Batch Stills, Turntable Animation | Maximum number of batch outputs to produce. Leave empty for all. Range: 0-100 |
animation_smoothnessSmoothness |
Text | Turntable Animation | Higher smoothness produces more frames and larger outputs. Default: Standard; Options: Preview, Standard, Smooth |
animation_speedPlayback Speed |
Text | Turntable Animation, Trajectory Animation | Playback speed for generated videos. Default: Standard; Options: Slow, Standard, Fast |
tile_label_modeTile Labels |
Text | All modes | Optional label text drawn on each rendered tile. Default: None; Options: None, Sequential Letters, Sequential Numbers, Structure Name, Custom Text |
tile_label_textLabel Text |
Text | All modes | Text used when Tile Labels is Custom Text. Shown when tile_label_mode is Custom Text |
tile_label_positionLabel Placement |
Text | All modes | Default: Top; Options: Top, Bottom; Shown when tile_label_mode is one of Sequential Letters, Sequential Numbers, Structure Name, Custom Text |
tile_label_sizeLabel Size |
Text | All modes | Default: Medium; Options: Small, Medium, Large; Shown when tile_label_mode is one of Sequential Letters, Sequential Numbers, Structure Name, Custom Text |
tile_label_colorLabel Color |
Text | All modes | Default: White; Options: White, Black, Yellow, Cyan, Magenta, Orange, Limegreen; Shown when tile_label_mode is one of Sequential Letters, Sequential Numbers, Structure Name, Custom Text |
video_formatVideo Format |
Text | Turntable Animation, Trajectory Animation | Default: MP4; Options: MP4, WebM |
use_preview_orientationUse Preview Orientation |
Yes/no | Still Image | For still images, render from the current structure preview orientation when submitted from the web UI. Default: false |
Advanced configuration fields
| Parameter | Type | Modes | What it does |
|---|---|---|---|
representationBase Representation |
Text | All modes | Legacy base representation used when no layers are supplied. Default: Cartoon; Options: Cartoon, Spheres, Sticks, Surface, Lines, Mesh, Dots |
color_schemeBase Coloring |
Text | All modes | Legacy coloring preset used when no layers are supplied. Default: Default; Options: Default, By Element, By Chain, Chain Rainbow, Secondary Structure, Single Color |
single_colorSingle Color |
Text | All modes | Color used when the single-color preset is selected. Default: Marine; Options: Marine, Cyan, Green, Yellow, Orange, Red, Blue, Magenta, White; Shown when color_scheme is Single Color |
batch_layoutLegacy Batch Layout |
Text | Batch Stills, Turntable Animation | Legacy layout option used only when rows and columns are omitted by older clients. Default: One Per Output; Options: One Per Output, Four Per Output, Six Per Output, Nine Per Output |
reverse_playbackReverse Playback |
Yes/no | Turntable Animation, Trajectory Animation | Reverse angle or state order in the video output. Default: false |
preview_orientationPreview Orientation |
Text | Still Image | Auto-filled by the web UI when using preview orientation. Shown when use_preview_orientation is true |
camera_distanceCamera Distance |
Number | All modes | Optional camera zoom distance override. Leave empty for PyMOL+ defaults. Range: 0.1-1000 |
Outputs And Metrics
- PNG still images, videos, and optional PyMOL session/script artifacts depending on mode.
- This is a visualization job and does not compute scientific confidence or validation metrics.
Common Examples
- Batch stills: select a folder of PDB/CIF files, cartoon representation, chain coloring.
- Binding-site figure: add a ligand layer and a residue-selection layer around the pocket.
- Structure review video: one structure, consistent camera, MP4 output for sharing.
Example API params
{
"mode": "still_image",
"structure": "model.pdb",
"representation": "Cartoon",
"color_scheme": "By Chain"
}
Caveats
- Selections must match chains, residue names, and numbering in the input structures.
- Large structures and video modes can produce large outputs.
- Visualization quality does not imply model quality.
Advanced Submit
Advanced submit is still available for direct program arguments through POST /api/v1/job/submit-advanced. Prefer canonical configuration unless you need exact low-level arguments or are reproducing a known command line.
- Advanced submit accepts one flag per line for lower-level render, batch, and video workflows.
- Use canonical configuration when layer-based structure rendering is enough.
curl -X POST https://subseq.bio/api/v1/job/submit \
-H "Authorization: Bearer <api_key>" \
-F program=pymolplus \
-F 'params={"mode":"single_still","structure":"model.pdb","representation":"cartoon","color_scheme":"chain"}'