Molecular Modeling programs on different platforms - table correct?
Dr. Peter Gegenheimer
pgegen at kuhub.cc.ukans.edu
Fri Sep 20 19:02:50 EST 1996
In <51cnf2$mr0 at gap.cco.caltech.edu>, mathog at seqaxp.bio.caltech.edu writes:
>Periodically I check the status of various molecular modeling/molecular
>display/related programs with respect to portability. This is my latest
>table - if anybody sees any errors or wants to add something, please chime
> MIPS ---DEC Alpha---- Intel
>What SGI DU WNT Windows GraphicsType
>Biosym Yes No* No* No* GL
>Grasp Yes No No No GL
>MidasPlus Yes No No No GL
>molmol Yes Yes No No X11
>O Yes No No No GL
>rasmol Yes Yes ? Yes X11/Windows
>Setor Yes No No No GL
>VMD Yes No No No GL
>XtalView Yes Yes No No GL/X11
>* Separately licensed "Axxess" product lets Biosym run as an X11 client.
>Kind of amazing to me that more of these have not been ported to other
>platforms, for instance Alpha/Linux or WNT. Looks like the only really
>portable one is Rasmol. In terms of horsepower the SGIs are at least twice
>as expensive as these alternatives. I guess the ports will only come when
>the grants start coming back marked with "buy cheaper platforms".
>If I get a vote, I cast it for moving to WNT. Not that I'm a big fan of
>that OS, but realistically, WNT workstations would be a lot more readily
>accepted by our undergrads then the current set of SGIs are, and getting
>other software for WNT machines (word processors and so forth) would be one
>heck of a lot easier and lots cheaper than it is for SGIs.
>mathog at seqaxp.bio.caltech.edu
>Manager, sequence analysis facility, biology division, Caltech
Thanks for the comparison! You omitted Molecular Images, by Duncan McRee (http://www.concentric.net/~molimage/ ; MISoftware at aol.com) which is available for Win 3.x, NT, and Mac. It's superb -- the best PC-based program I've seen, although I haven't tried Alchemy or HyperChem.
I'd like to mention that I run the Win3.1/Win32S versions of Molecular Images, RasMol 2.6, and the Berkeley-enhanced RasMol, under OS/2 Warp. I am encouraging a port of Molecular Images to OS/2, since CHARMm is available for OS/2. I'd expect somewhat better performance under OS/2 than Win-NT. More software runs under OS/2 Warp than any other desktop OS, because Warp supports Win32s, OS/2, and (with the Executor emulator, now for WIn3.1 and soon native for OS/2) the MacOS.
OS/2 Warp 4.0 is in its 4th generation (NT 4.0 is really the 2nd version), and is a very stable and reliable OS. Both Warp and NT support OpenGL, and I know Warp supports an excellent X-terminal server program.
| Dr. Peter Gegenheimer | Vox: 913-864-3939 FAX: 913-864-5321 |
| Departments of Biochemistry | pgegen at kuhub.cc.ukans.edu |
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