Class | Description |
---|---|
Mol3DReader |
3D only
|
MolReader |
A reader for MDLI mol and sdf files.
|
V3000Rdr |
A reader for Accelrys V3000 files.
|
XyzReader |
Minnesota SuperComputer Center XYZ file format
simple symmetry extension via load command:
9/2006 hansonr@stolaf.edu
setAtomCoord(atom)
applySymmetryAndSetTrajectory()
extended to read XYZI files (Bob's invention -- allows isotope numbers)
extended to read XYZ files with fractional charges as, for example:
http://www.ccl.net/cca/software/SOURCES/FORTRAN/molden/test/reacpth.xyz
http://web.archive.org/web/20000120031517/www.msc.edu/msc/docs/xmol/v1.3/g94toxyz.c
|