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– May 2010 Newsletters

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Create and save molecular animations in PyMOL

This January, Schrödinger acquired PyMOL after the untimely death of its creator, Dr. Warren DeLano. PyMOL is a sophisticated and widely-adopted open source molecular modeling environment. Prior to the acquisition, Schrödinger worked closely with Dr. DeLano to jointly develop a PyMOL-for-Maestro plugin to allow users of Maestro to export their work to PyMOL.

After importing structures into PyMOL, many researchers go on to render ray-traced images for publication. A lesser-known but nevertheless useful PyMOL feature is the ability to produce high-quality molecular animations. PyMOL can ray-trace each frame in an animation, with saved movies taking on the same high-quality appearance as still images.

Here's one example of a ray-traced animation created with PyMOL (to view the video in full screen, go directly to YouTube).

To create your own animation that transitions between saved scenes in PyMOL, choose Movie > Program > Scene Loop > Steady > 2 seconds each. When PyMOL renders the movie, it will automatically move between your saved scenes, pausing at each scene for two seconds. Tell PyMOL to ray-trace the movie by choosing Movie > Ray trace frames. You can render the movie by choosing one of the output under File > Save movie As.

For more complete instructions on saving PyMOL movies, see the PyMOL community wiki. A complete PDF tutorial with example structures is also available to PyMOL subscribers.

Table of Contents

Recent equity investment and looking ahead

Richard A. Friesner, Ph.D., Schrödinger Scientific Advisory Board Chairman

New features in Maestro 9.1
Ask the scripts expert

Dr. Woody Sherman, Vice President of Applications Science

Create and save molecular animations in PyMOL
Schrödinger unveils KNIME workflow center
Platform support plans: Windows 7 support and more coming in Schrödinger Suite 2010
Canvas training videos posted online: Learn how to run cheminformatics calculations in less than an hour
Sign-up information for Spring 2010 seminar series features: New talks on docking, PyMOL, and more
View archived web seminars on Schrödinger's redesigned website
Save the Date: 10th Annual European User Group meeting, October 6th-8th, Vienna
US Regional user group meetings scheduled for June
Upcoming events attended by Schrödinger representatives
Recent publications

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