molecular modeling on linux

Stuart Priest priest at yorvic.york.ac.uk
Mon Jun 15 09:22:36 EST 1998


Michel Seigneuret wrote:
> 
> Dear Collegues,
> I am thinking of purchasing a 2 processors Pentium2 350 or 400Mhz PC
> to perform bioinformatics and molecular modelling studies under Linux.
> I would therefore be interested to hear from people already using
> similar machines for similar works.
> 1)Are the performances satisfactory for "standard" modeling tasks
> (e.g. sequence or structure database searching, molecular dynamics or
> conformational searching on peptides)? Comparison of performances with
> e.g. an SGI R10000 would be helpful.
> 2)It seems that a big problem with Linux is hardware compatibility.
> I would thus be interested if some people would advise me on specific
> hardware configurations that work (specially on high-end 3D OpenGL
> compatible graphic cards).
> Thank you in avance for your help.
> 
> Michel
> 
> 
> Michel Seigneuret
> Universite Paris 6, Lab. de Physicochimie Biomoleculaire et Cellulaire
> 4, place Jussieu, 75252 Paris cedex 05, France
> tel 33 1 44277545, fax 33 1 44277560

See  ...

  http://www.amber.ucsf.edu/amber/
  http://kihp6.ki.si/parallel/summary.html 
      (CHARMM - PII 400 much faster than a R10K SGI)
  http://www.emsl.pnl.gov:2080/docs/tms/abinitio/cover.html (GAUSSIAN)
  http://www.chem.joensuu.fi/people/juha_muilu/Misc/benchmarks.html
  http://www.dl.ac.uk/CCP/CCP4/ccp4onLINUX.html

Regards

Stuart Priest, Computer Manager, Tel. 44 1904 432592
Protein Structure Group, University of York, UK  FAX 44 1904 410519

Interested in Theatre?  http://www.users.globalnet.co.uk/~rltc/



More information about the Molmodel mailing list