Molecular Modeling programs on different platforms - table correct?

Justin Clancy justin at hippos.demon.co.uk
Wed Sep 18 04:44:33 EST 1996


Martin Kroeker wrote:
> 
> mathog at seqaxp.bio.caltech.edu wrote:
> : Periodically I check the status of various molecular modeling/molecular
> : display/related programs with respect to portability.  This is my latest
> 
> :              MIPS      ---DEC Alpha----         Intel
> : What         SGI       DU            WNT      Windows   GraphicsType
> 
> : 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
> 
> Kind of amazing to me that you do not have intel-based Linux in your table.
> This would have "yes" entries at least for Molden, MolMol, RasMol,XtalView and
> WhatIf. Basically, anything that is available as source and does not require
> SGI's gl should be available for this platform. BTW, depending on your
> definition of 'molecular modeling', you might also add a few lines for
> the more number-crunching related packages like MOPAC, GAMESS or the various
> force fields. A Pentium166 or PentiumPro is not that bad for modeling.
> 
> Martin
> --
> Dr.-Ing. Martin Kroeker
> Inst. f. Organ. Chemie                   martin at oc2.oc.chemie.th-darmstadt.de
> Univ. (TH) Darmstadt                           db7p at hrzpub.th-darmstadt.de
> Germany
> The <a href="http://130.83.122.2/TZ/AKLindner/pimm_e.html">PIMM force field</a>

Hey!  I didn't know that WhatIf was available for Linux.  I couldn't agree more about the use of
Linux for modelling - We use it on high-end PC's because of the great cost/power ratio.  Even
GAMESS doesn't take too long when you use a Pentium and *lots* (128M) of RAM.

While I'm here, could anyone suggest a cheap (dare I say it - free?) package which would allow me
to input structures graphically?  At present I edit the PDB files by hand - it's a real pain I can
tell you!  I can't justify buying in a commercial package because this isn't really what we do; I
have personal reasons for usurping the company's resources.

  Regards,

	Justin.
-- 
Justin Clancy - Technical Director.
The Clan Partnership Ltd.
Tel: 01202 294719   Fax: 01202 294725   email: justin at hippos.demon.co.uk




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