minimal sphere

[islam]

Out of curiosity, what do you mean by a minimal sphere ?
E.g. Smallest (Volume) sphere to enclose all atoms, Least Squares
fitted sphere ...

Michel PETITJEAN wrote:
> 
> Subj: minimal sphere
> 
> A colleague told me recently that it should be useful to have a
> programme computing the minimal sphere containing a molecule,
> together with various shape coefficients.
> I have done it.
> Binaries are available for DEC-alpha (VMS and unix), RS6000 serie
> (and SP2) CRAY Y and J90, SGI O2 (and various mips1 to mips4).
> Interested people should email me, without forgetting to tell which
> computer is used.
> 
> Michel Petitjean,                     Email: petitjean at itodys.jussieu.fr
> ITODYS (CNRS, ESA 7086)                      ptitjean at ccr.jussieu.fr
> 1 rue Guy de la Brosse                Phone: +33 01 44 27 48 57
> 75005 Paris, France.                  FAX  : +33 01 45 84 98 25

____________________________________________
Suhail A Islam
Biomolecular Modelling Laboratory
Imperial Cancer Research Fund, P.O. Box 123
44 Lincoln's Inn Fields, London WC2A 3PX
Tel: (0171) 269 3380 
Fax: (0171) 269 3258
email: islam at icrf.icnet.uk
http://www.icnet.uk/bmm/
____________________________________________