Title:

Use of PyMOL with OpenEye Scientific Software

Author:

Warren L. DeLano
DeLano Scientific LLC

Abstract:

PyMOL is a molecular viewer application, based on an open source
foundation, but that is commercially supported by DeLano Scientific
LLC via annual subscriptions.  The company has chosen to market PyMOL
in such as way as to enable everyone to begin deriving value from it
without first having to clear significant financial hurdles.  Also,
since PyMOL is an open-source, Python-enabled software package, PyMOL
users have both the freedom and the means by which to integrate,
customize, or extend the program to suit their unique needs.
Because of these characteristics, PyMOL is rapidly becoming a
ubiquitous molecular visualization tool in industry and academia,
with heavy usage in computational chemistry, structural biology,
and for presentation graphics.  Here we explore how PyMOL's utility
can be significantly enhanced by drawing upon the power of OpenEye
Scientific Software toolkits.  By combining OpenEye's high-value
proprietary software with DeLano Scientific's relatively generic
open-source solution, users can draw upon the relative strengths
of both proprietary and non-proprietary approaches in meeting their
various molecular modeling and visualization needs.