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PovChem


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OS: Linux, Windows, Mac, ...

License: Freeware





It's a chemical visualization and illustration program with a new graphic interface. It takes molecules in the PDB format, lets you to set up a picture with fine control over details of the illustration - colors, atom and bond radii, view orientation, etc. It will even calculate and display hydrogen bonds. It then exports the picture in POV-Ray format, which allows you to render the image with a state-of-the-art raytracer, giving high-quality images at any resolution, for anything from web page thumbnails to full-size high-resolution images for journal covers, advertisements, posters, anything!

Current features (as of version 2.1):

reads PDB files
simple and intuitive graphic interface with mouse-adjustable view orientation
writes POV-Ray (version 3) scenes
three different model types: CPK, Ball-and-Stick, and Cylinder
fine control over model details
many options for setting up atom/bond colors
save/read options, view, and periodic table in configuration files
calculates and displays hydrogen bonds, with adjustable parameters
adjustable camera distance/zoom, and front/rear clipping planes
automatic or manual rendering quality configuration
built-in hypertext help system
New in 2.1!
o complete periodic table
o calculates bonds from atomic coordinates, so connectivity information is not required in PDB files
o can manually add/remove bonds/H-bonds
o write to PDB - so you can use PovChem as a PDB file editor! (for registered users only)
o between PDB and configuration file output, you can now save your work for later use

Coming in future release 2.x:

color selector/editor
VRML output
stereo pair output
dump model window to graphics file
allow manual adjustment of individual atom/bond radii/colors
include some different optional POV textures
background color selection
basic placement of backdrop or "floor" POV planes to cast shadows on
more intelligent/configurable parser of element type from PDB records

Coming eventually - possibly in 2.x, possibly later:

put in something to indicate bond order - multiple cylinders?
calculation of bond order
orthographic projection
manual editing of PDB fields used as tags
allow different subsets of atoms to be of different model type
make adjuster slider track w/ changes to its variable

http://www.chemicalgraphics.com/PovChem/



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