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Our initial work took advantage of open-source communities like the Blue Obelisk [30], and through open source software applications like JChemPaint [31], Open Babel [32] and Jmol [33], we were able to populate chemical definitions with 2D and 3D molecular visualization software agents.
Figure 3c was prepared with the molecular visualization software PyMol (http://www.pymol.org).org
All gallery illustrations were rendered using the molecular visualization software PyMOL 1.5.
Structures in Figure 1B and C were generated with the aid of the molecular visualization software PyMOL.
They are highly interactive and involve use of 3D molecular visualization software that can be computationally taxing.
The interaction between sites was in real time with little latency, even when using the molecular visualization software, and there were no technical problems.
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Electronic structure and optimized geometrical parameters were calculated by density functional theory (DFT) using Gaussian 09W software package [10] with B3LYP/6-31 B3LYP/6-31asis set method and Gauss-View molecular visualization program package on a personal computer [11].
It is designed for easy and rapid image manipulation and display of protein molecules, and is intended for users who need to quickly produce high-resolution images of protein molecules but do not have the time or inclination to use a software molecular visualization system.
We describe the new Pathways plugin for the molecular visualization program visual molecular dynamics.
As specified in the legends, visualization software including the molecular viewers PMV and Chimera and a collection of cellPACK-uPy plugin-enabled 3D animation packages were used to load and visualize the model defined in the HIV-1_0.1.5 HIV-1_0.1.5and files.
The molecular visualization was performed by PyMOL open-source software version 0.99rc6 (Delano Scientific LLC, 2006).
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