Today the American Chemical Society's Chemical Biology published their second set of interactive structure figures (disclosure: adapted for Jmol by yours truly) in their March issue. These figures incorporate molecular electrostatic potential maps calculated with the APBS plug-in for PyMOL, written by Michael Lerner. This is thanks to Michael's ready cooperation and Bob Hanson's tireless development of Jmol.
The figures are available at the following URL (subscription required):
The paper is Mechanistic and Structural Basis of Stereospecific Cβ-Hydroxylation in Calcium-Dependent Antibiotic, a Daptomycin-Type Lipopeptide, by Matthias Strieker et al. See figures 4 and 7.
ACS Chemical Biology is leading the way in providing interactive 3D renderings of authors' structure figures, complete with custom controls that make use of many powerful aspects of Jmol and 3D visualization in general. If you'd like to support Chemical Biology's efforts, please spread the word to colleagues about the journal and their commitment to this technology.
Thank to the PyMOL community for answering my posts so promptly and helpfully, making the MEP figures possible.
Frieda Reichsman, PhD
Molecules in Motion
Interactive Molecular Structures