CCL Home Preclinical Pharmacokinetics Service
APREDICA -- Preclinical Service: ADME, Toxicity, Pharmacokinetics
Up Directory CCL June 07, 1997 [003]
Previous Message Month index Next day

From:  Rick Venable <rvenable()at()deimos.cber.nih.gov>
Date:  Sat, 7 Jun 1997 15:30:08 -0400 (EDT)
Subject:  Re: CCL:animation


On Sat, 7 Jun 1997, Eugene Leitl wrote:
> For those of you interested in rendering high-quality movies, I can
> recommend PovRay, a highly sophisticated public domain renderer (there is
> a usenet newsgroup on it out there). I know there are several conversion
> filters, e.g. pdb->pov for itaround. In a Unix environment, one would most
> likely use pipes, or a batch soldering individual frames into a movie.

There's also a web site at      http://www.povray.org

The new version, povray3, has many improvements, including orthographic
projection and several internal changes to increase rendering efficiency.
If you tried PovRay over a year ago and thought that it was too slow for
animation, I'd suggest trying it again.  You can also use the features of
PovRay to make animations based on a single coordinate set, e.g.
rotations, pans and zooms, lighting changes, etc.

A caveat about pdb2pov-- it creates one or two large compound objects
using the constructive solid geometry (CSG) feature of PovRay; this
defeats most of the new changes for efficiency, which in general apply
divide-and-conquer approaches based on the number of objects and their
distribution in space.  Removing the CSG statements (e.g. merge or union)
results in 50-fold decreases in rendering time for scenes with a few
thousand atoms.  I modified the copy of pdb2pov at our local site to avoid
the use of CSG in the output .pov files.  I've forwarded this information
to the author of pdb2pov, who is working on a new version (as time
allows).

Like any programming language, it takes a little time to learn how to make
the best use of PovRay.  However, the documentation is available in HTML
format and is very good for a public domain program.  The results are also
well worth the effort; PovRay has many pre-defined textures (e.g. glass,
stone, wood, ...) and other features that can be used to produce
journal-cover quality molecular images.

--
Rick Venable                  =====\     |=|    "Eschew Obfuscation"
FDA/CBER Biophysics Lab       |____/     |=|
Bethesda, MD  U.S.A.          |   \    / |=|  ( Not an official statement or
rvenable #*at*# deimos.cber.nih.gov  |    \  /  |=|    position of the FDA; for
that,
http://nmr1.cber.nih.gov/           \/
|=|    see   http://www.fda.gov  )



Similar Messages
06/12/1997:  CCL animation summary (text)
06/07/1997:  Re: CCL:animation
08/03/1995:  ACS Chicago - CINF Abstracts    - 29 pages document -
10/10/1997:  Summary: Presentation Graphics
04/23/1992:   Huckel MO Theory software
08/01/1996:  Re: CCL:M:Heat of formation calculation using MOPAC.
02/21/1996:  Summary: CRYSTAL & all
06/08/1993:  undergrad computational chem
09/03/1998:  Summary: looking for molecular modeling program on web or free-long!
02/16/1994:  Request for Molecular Graphics Software-- Summary


Raw Message Text