The molecular surface package.

The Molecular Surface Package is a reimplementation, in C, of a set of earlier FORTRAN programs for computing analytical molecular surfaces, areas, volumes, polyhedral molecular surfaces, and surface curvatures. The software does not do interactive molecular graphics, but it will produce pixel maps of smooth molecular surfaces. The polyhedral molecular surfaces are suited to display on graphics systems with real-time rendering of polyhedra.

[1]  B Maigret,et al.  New determinations and simplified representations of macromolecular surfaces. , 1990, Journal of molecular graphics.

[2]  Michael L. Connolly Plotting protein surfaces , 1986 .

[3]  W J Howe,et al.  A fast algorithm for generating smooth molecular dot surface representations. , 1989, Journal of molecular graphics.

[4]  Estanislao Silla,et al.  GEPOL: An improved description of molecular surfaces. I. Building the spherical surface set , 1990 .

[5]  B. Bush,et al.  Macromolecular shape and surface maps by solvent exclusion. , 1978, Proceedings of the National Academy of Sciences of the United States of America.

[6]  Michael L. Connolly,et al.  Molecular surface Triangulation , 1985 .

[7]  M L Connolly,et al.  Shape distributions of protein topography , 1992, Biopolymers.

[8]  Michael L. Connolly,et al.  Molecular Interstitial Skeleton , 1991, Comput. Chem..

[9]  Iñaki Tuñón,et al.  GEPOL: An improved description of molecular surfaces II. Computing the molecular area and volume , 1991 .

[10]  William E. Lorensen,et al.  Marching cubes: A high resolution 3D surface construction algorithm , 1987, SIGGRAPH.

[11]  F M Richards,et al.  Areas, volumes, packing and protein structure. , 1977, Annual review of biophysics and bioengineering.

[12]  Akbar Nayeem,et al.  MSEED: A program for the rapid analytical determination of accessible surface areas and their derivatives , 1992 .

[13]  M. L. Connolly Shape complementarity at the hemoglobin α1β1 subunit interface , 1986 .

[14]  O Nilsson,et al.  Molecular volumes and surfaces of biomacromolecules via GEPOL: a fast and efficient algorithm. , 1990, Journal of molecular graphics.

[15]  F. M. Richards,et al.  Calculation of molecular volumes and areas for structures of known geometry. , 1985, Methods in enzymology.

[16]  M. L. Connolly Measurement of protein surface shape by solid angles , 1986 .

[17]  B. Lee,et al.  The interpretation of protein structures: estimation of static accessibility. , 1971, Journal of molecular biology.

[18]  G. Vriend,et al.  A very fast program for visualizing protein surfaces, channels and cavities. , 1989, Journal of molecular graphics.

[19]  Michael L. Connolly,et al.  Computation of molecular volume , 1985 .

[20]  Michael L. Connolly,et al.  Depth-buffer algorithms for molecular modelling , 1985 .

[21]  M. L. Connolly Analytical molecular surface calculation , 1983 .

[22]  Nathalie Colloc'h,et al.  Molecular graphics abstract , 1987 .

[23]  M. E. Agishtein Fuzzy molecular surfaces. , 1992, Journal of biomolecular structure & dynamics.

[24]  Laurence H. Pearl,et al.  Generation of molecular surfaces for graphic display , 1983 .