NAME
EyeSybyl
DESCRIPTION
This module reads the molecular data of a Sybly mol file and builds
a Chemistry Pyramid. It is basically an implementation of the
InterCon program written by Dr. Stuart Greene.
WIDGETS
filename -- Text
Filename of Sybyl mol file.
OUTPUTS
Molecule -- Pyramid
(n-layer, optional-baseLat, n-D compression, n-compression type).
The output is a Chemical-based pyramid. This pyramid has 2
layers of lattices. The base layer (0) contains the bond order
and 2 atom numbers that comprise the bond. The next layer (1),
contains the connectivity information, atom data, and the cartesian
coordinates. Eact atom has 4 data variables: ID, element number
vdw radius, and colour number.
KNOWN PROBLEMS
Occasionally atoms are unconnected.
SEE ALSO
MoleculeBuilder, EyeBalls, PrintPyr,BallStick