Go! Go! Raster Image!

for small molecules

Black & white line drawing is major in graphics of small molecules, but very fancy images are anywhere for macro molecules. Why? There is no rule for limiting fancy image for small molecules! Oh yah, it was not so difficult. 24 June, 2002

Did you see 'stereo', 'skelton-surface overlayed' and 'ellipsoid' image for small molecules?

What need?

RasMol	very easy and smart molecule displaying tool: version 2.7.2.1 read PDB as well as CIF! (Old URL is here)
Raster3D package	make fancy painting of molecules
msms	calculate accessible surface area of molecule (very speedy!) no source, excutables for sgi, linux, sun, dec/alpha...
molscript	very famous molecular drawing/painting
POV-Ray	raster objects and make fancy image


These are all freewares for non-profits! I greatly thank for authers and groups.

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'NCSA Telnet', 'Graphic Converter', 'Fetch' and 'NetPresenz' are also recommended for Mac users.

Hard?

All jobs were executed on Macintosh G4 and Linux/i686 (Kondara 2.0).

Data?

A anisotropic PDB data produced by 'WPDB -2' instruction of SHELXL: tcgs.pdb

Reference: Doi, M., Fujita, S., Katsuya, Y., Sasaki, M., Taniguchi, T. and Hasegawa, H. Arch. Biochem. Biophys. (2001). 395, 85-93. (N,N-bistrichloroacetyl grmicidin S)

Two ways...

1. Simple! 2 steps :
   
   RasMol POV-Ray Solid ball & stick image (isotropic & all on Mac/Win)
   
   
   
2. Gorgeous :
   
   RasMol Molscript (partial use) msms (surface)
   
             R3D/rastep (ellipsoid) R3D/render Skelton surface-ovelayed image (anisotropic)
   

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