X3DChem: 3-D molecule structure rendering and analysis

Not yet released.

This project is hosted by SourceForge.net

sf.net project page

Why does the world need another 3-D molecule viewer? The goal of this project will be to develop a companion application to XDrawChem. I am also interested in working on small molecule docking to proteins and possibly to other small molecules (i.e., reaction analysis). I admit that X3DChem is hardly unique or original; most of my features will probably mimic Ghemical and/or MOE, and it's likely I will borrow a lot from other OSS projects (Ghemical, OpenBabel, JME...), but hopefully I can build something that improves on these programs and is also free so they can build on my code as well.

Proposed features include:

  • Surface mapping. (energy potential, hydrophobic/hydrophilic, etc.)
  • 2-D to 3-D conversion and energy minimization.
  • Will read and write any format supported by the current release of OpenBabel.
  • Can export pictures in PNG, Windows bitmap (*.bmp), Encapsulated PostScript (EPS), and Scalable Vector Graphics (SVG).
  • Rendering controls -- adjusting material and color settings, lighting, etc. Possibly to include POV-Ray output and/or rendering.

    Check here or on the sf.net project page for updates and possibly file releases. Code will probably be available by September 2004.


    E-mail Bryan Herger