Documentation/Getting Started/Quick Start Tutorial

Quick Start Tutorial

Create your first Bioshift workflow in 10 minutes. This step-by-step guide will walk you through building and running a simple molecular visualization workflow.

Your First Workflow

Follow these steps to create a simple workflow that loads a molecular structure and displays it in 2D format.

Launch Bioshift

Start the Bioshift application from command line or script

Step 1
  1. 1Double-click Bioshift.exe to start the application
  2. 2Wait for the application to load (may take a few moments)
  3. 3Enter your license key when prompted
  4. 4The Recent Projects dialog will appear first

Create Your First Workflow

Start with a new empty workflow canvas

Step 2
  1. 1Click 'New Project' in Recent Projects dialog
  2. 2Or use File → New Workflow (Ctrl+N)
  3. 3The canvas will be empty and ready
  4. 4Floating controls appear at bottom center

Add Your First Node

Add nodes from the Bioshift Toolbox

Step 3
  1. 1Find the Bioshift Toolbox on the right side
  2. 2Expand 'I/O' category in the toolbox
  3. 3Click on 'File Input' node to add it
  4. 4The node appears on the canvas
  5. 5Drag to reposition or resize the node

Configure the Node

Set node properties and input files

Step 4
  1. 1Double-click the File Input node
  2. 2Properties dialog opens
  3. 3Browse and select a PDB or SDF file
  4. 4Click OK to save properties
  5. 5Node updates to show configured state

Connect Nodes

Create connections between node ports

Step 5
  1. 1Add 'Structure Draw 2D' from Visualization category
  2. 2Click on the output port (right side) of File Input
  3. 3Drag to input port (left side) of Structure Draw 2D
  4. 4Connection line shows data flow
  5. 5Port colors indicate data type compatibility

Run Your Workflow

Execute and view results

Step 6
  1. 1Click 'Validate' button (check icon) first
  2. 2Green animation shows valid workflow
  3. 3Click 'Run' button (play icon)
  4. 4Progress bar shows execution status
  5. 5Nodes turn green when complete
  6. 6Double-click Image Viewer to see results
  7. 7Save workflow as .bsw file (Ctrl+S)

Essential Keyboard Shortcuts

Learn these shortcuts to work more efficiently in Bioshift.

Ctrl + NNew workflow
Ctrl + OOpen workflow (.bsw)
Ctrl + SSave workflow
Ctrl + Shift + SSave workflow as
Ctrl + ASelect all nodes
DeleteDelete selected nodes/connections
Ctrl + C/V/XCopy/paste/cut nodes
Ctrl + Z/YUndo/redo
Ctrl + Plus/MinusZoom in/out
Ctrl + FZoom to fit

Pro Tips

Helpful tips to make the most of your Bioshift experience.

Canvas Navigation

Mouse wheel to zoom, middle-click drag to pan. Nodes can be resized by dragging edges. Right-click nodes for context menu.

Workflow Management

Workflows save as .bsw files. Use validation before running to check for errors. Recent projects appear on startup.

Node Connections

Port colors indicate data types: blue (molecules), green (data), yellow (string), purple (file), orange (image).

Performance Tips

Use Vina GPU for large-scale docking. Session temp files are auto-cleaned on exit. Pause/resume workflows as needed.

Ready for More?

Great job completing your first workflow! Now explore the interface in more detail or check out example workflows for inspiration.