Molecular Modeling programs on different platforms - table correct?
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.
> 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
> The <a href="http://220.127.116.11/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.
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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