Kuntz Home /
DOCK Home /
DOCKumentation Contents /
Accessories
showsphere
Stuart Oatley, Elaine Meng, Daniel Gschwend
showsphere is an interactive program; it produces a PDB-format file of
sphere centers and an MS-like file of sphere surfaces, given the sphere cluster
file and cluster number. The surface file is not in QCPE MS format (see the
documentation
on reformatms for further details); generation is optional.
The user may specify one cluster or "all," and multiple output files
will be generated, with the cluster number appended to the end of the name of
each file. The input cluster file is created using sphgen.
showsphere requests the name of the sphere cluster file, the number of
the cluster of interest, and names for the output files. Information is sent to
the screen while the spheres are being read in, and while the surface points
are being calculated.
Curator: Daniel Gschwend, gschwend@cgl.ucsf.edu (rev. 1 September 1995)