CCL: Any open-sourced generation algorithm for Connolly molecular surface??

 Sent to CCL by: Michel Petitjean [ptitjean(0)]
 To: chemistry*|*
 Subject: CCL: Re: Any open-sourced generation algorithm for Connolly molecular
 Do you mean:
 (a) Computing the surface area
 (b) Viewing graphically the surface area
 For (a), use the freeware ASV (Monte-Carlo and/or analytical calculation):
 The free MC routines sources are in f77, but are callable in C.
 It works for a null radius probe sphere (i.e. van der Waals surface or SAS).
 For (b), do a Google search.
 Remark: the analytical Connolly molecular surface algorithm fails in most
 situations because intersections or more than 3 spheres exist, unless
 atomic radii are very small (as it occurs in commercial softwares !!!).
 Atomic radii recommended in the literature induce intersections of
 6 spheres in many cases (see Bondi, Gavezzotti, etc.).
 Worse: it has been demonstrated that surfaces are highly sensitive
 to atomic radii.
 ASV performs the analytical computation in all situations, for any radii values.
 Best regards,
 Michel Petitjean,
 DSV/iBiTec-S/SB2SM (CNRS URA 2096)
 CEA Saclay, bat. 528
 91191 Gif-sur-Yvette Cedex
 Phone: +33(0)1 6908 9681 / Fax: +33(0)1 6908 4007
 E-mail: petitjean*|*, michel.petitjean*|*
 ITODYS (CNRS, UMR 7086), 1 rue Guy de la Brosse, 75005 Paris, France.
 Sent to CCL by: "Jun Tie Cheng" [tjcheng**]
 > Hi, CCLers
 > Recently I am dealing with molecular surface generation. Is there any
 open-sourced alogrithm for this purpose? A C/C++ library would be very
 appreciated. Thanks in advance.
 > Best regards,