org.gennbo.help.use.txt Maven / Gradle / Ivy
Go to download
Show more of this group Show more artifacts with this name
Show all versions of jmol Show documentation
Show all versions of jmol Show documentation
Jmol: an open-source Java viewer for chemical structures in 3D
USE.t filename (use file 'filename' of type 't'
to initiate a modeling session)
't' parameters:
.v = valence coordinate VFILE ([.vfi])
.c = cartesian coordinate CFILE (.cfi)
.a = NBO archive file (.47)
.adf = ADF input file (.adf)
.g = Gaussian input file (.gau)
.gms = GAMESS input file (.gms)
.jag = Jaguar input file (.jag)
.l = Gaussian log file (.log)
.mp = Molpro input file (.mp)
.nw = NWChem input file (.nw)
.orc = Orca input file (.orc)
.pqs = PQS input file (.pqs)
.qc = Q-Chem input file (.qc)
Example:
USE.G ACETIC (use Gaussian-type ACETIC.GAU
input file to start session)