PyMOL 3

PyMOL 3

A modern advance in molecular visualization and animation

Industry leading software for 3D molecular visualization

Hundreds of thousands of scientists worldwide choose PyMOL to view, share, and analyze their molecular data.

In addition to being lightweight and fast, PyMOL creates images of peerless visualization quality, while offering the flexibility of Python-based development and scalability.

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Bring your biochemistry to life

Produce publication quality images

  • Show important interactions, helpful representations, and key labels for any areas of interest
  • Produce stunning ray-traced images that add depth and shadowing to any structure
  • Create consistent figures that are easy to reproduce and modify

Simplify editing with scenes

  • Store snapshots of the current workspace to easily recall later
  • Use the thumbnails to easily distinguish between scenes
  • Add scenes to the timeline to create movies in only a few clicks

Create insightful movies with ease

  • Create movies that look stunning and convey the complexity of 3D systems
  • Use the new Timeline to create basic movies in a few clicks or devel deeper to unlock its full potential
 

What’s new in the PyMOL 3 interface?

Top Toolbar
The new top toolbar provides easy access to some common actions such as changing the selection mode, reorienting the camera, and launching various panels.
Scenes Panel
The new scenes panel allows the user to quickly store a snapshot of the workspace. These scenes can be easily recalled and now feature convenient thumbnails that can be recognized at a glance.
Contents Panel
The redesigned contents panel displays all objects and selections that are currently loaded into PyMOL. The ASHLC buttons allow the user to perform various actions including showing/hiding representations, applying specific colors, finding interactions, and much more.
Timeline
The new timeline line is used to interpolate between values, show changes over time, and create insightful movies that breathe life into otherwise static systems. Simple movies can be created by adding scenes to the main camera track.

Communicate your science through images and videos

Micelle formation

Carbon nannotube

Cas9 inhibition in Scenes panel

Docking pose

DNA with transparent surface

Creating a simple movie in PyMOL 3

p38 binding

Aspirin binding site

APBS electrostatics GUI

Flagellar motor-hook complex from Salmonella

Aspirin animated

Bring your biochemistry to life

Documentation & Tutorials

Get answers to common questions and learn best practices for using Schrödinger’s software.

Materials Science Video

Getting Going with Materials Science Maestro Video Series

A free video series introducing the basics of using Materials Science Maestro.

Life Science Tutorial

Absolute Binding Free Energy Perturbation to Postprocess Docking Results

Use Absolute Binding Free Energy calculations to enrich virtual screening results.

Life Science Tutorial

Glide WS Evaluation of HSP90 Ligands

Build and use Glide WS models to evaluate Hsp90 ligands.

Life Science Tutorial

Evaluating Large Ligand Libraries with Active Learning Glide

Set up a virtual screen to analyze a 1M ligand library from using Active Learning Glide.

Life Science Tutorial

Defining QM and MM regions in QSite

Define regions to treat with QM and with MM for a QSite calculation.

Life Science Tutorial

pKa Predictions with Jaguar pKa

Predict the pKa of organic molecules with more than one acidic functional group.

Life Science Tutorial

Membrane-Bound FEP+ with A2A

Prepare, run, and analyze a free energy perturbation (FEP) simulation with a membrane-bound protein for a series of A2A inhibitors using FEP+.

Life Science Tutorial

Heteromultimer Homology Modeling with the Multiple Sequence Viewer/Editor

Build a heteromultimer homology model of human hemoglobin from a bar-head goose hemoglobin structure.

Life Science Tutorial

Training and Evaluating ADMET Models with DeepAutoQSAR

Build and test two models for predicting aqueous solubility using a large dataset.

Life Science Tutorial

Using IFD-MD on a Membrane-bound protein

Set up a membrane-bound protein for IFD-MD and visualize the results.

Training & Resources

Online certification courses

Learn how to unlock the power of movie making in PyMOL with our Visualizing Science with PyMOL 3 Online Certification Course.

PyMOL Wiki

Community-run support site that provides detailed pages on various features and commands. Additional resources and examples can be found in the “Quick Links” section.

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