Class | Description |
---|---|
AlchemyReader |
TRIPOS simple Alchemy reader.
|
AmpacReader |
A reader for AMPAC output.
|
CubeReader |
Gaussian cube file format
http://www.cup.uni-muenchen.de/oc/zipse/lv18099/orb_MOLDEN.html
this is good because it is source code
http://ftp.ccl.net/cca/software/SOURCES/C/scarecrow/gcube2plt.c
http://www.nersc.gov/nusers/resources/software/apps/chemistry/gaussian/g98/00000430.htm
distances are in Bohrs because we are reading Gaussian cube OUTPUT files
not Gaussian cube INPUT files.
|
FoldingXyzReader |
This reader is for current.xyz files generated by Folding@Home project
(see http://folding.stanford.edu)
I have not found a precise description of the file format.
|
GhemicalMMReader |
Reads Ghemical (
http://www.uku.fi/~thassine/ghemical)
molecular mechanics (*.mm1gp) files.
|
HyperChemReader |
Support for .hin, HyperChem's native file format.
|
InputReader | |
JmeReader | |
JSONReader | |
MopacArchiveReader |
Mopac Archive reader -- presumes "zMatrix" is really Cartesians
use FILTER "NOCENTER" to NOT center atoms in unit cell
use CENTROID for complete molecules with centroids within unit cell
use PACKED CENTROID for complete molecules with any atoms within unit cell
|
MopacReader |
Reads Mopac 93, 6, 7, 2002, or 2009 output files
|
TinkerReader |
simple Tinker format requires Tinker:: prefix:
load Tinker::mydata.xyz
1/2014 hansonr@stolaf.edu
|