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