The VIEWMOL programme is a graphical front end for some quantum chemical
as well as for some molecular modelling programmes. It is able to visualize
results of such calculations. The programme is able to show the geometry of
a molecule, to trace a geometry optimization, to animate normal vibrations
of a molecule, to draw IR, Raman, and inelastic neutron scattering spectra
of a molecule, an MO energy level or density of states diagram, basis
functions, molecular orbitals, and electron densities of a molecule and to
show forces acting on each atom in a certain configuration. The structure
of the molecule and basis functions, molecular orbitals, and electron densities
can be plotted, the normal vibrations may be drawn as arrows into this plot
(HPGL output), the spectra can be written as files suitable for LaTeX and
the MO energy level or the density of states diagram can be plotted (HPGL
output). All drawings can also be saved as TIFF files. Animations of normal
modes can be converted to a video file (MPEG), e. g. for inclusion into World
Wide Web documents (requires additional programmes available on the Internet).
The programme can also be used as an interface to the freeware ray tracing
programme RAYSHADE. A file containing a description of the scene for this
programme may be generated and the ray tracing programme can be used from
within VIEWMOL.
Actually VIEWMOL can be used with DISCOVER, DMOL, GAUSSIAN 92, MICROMOL, and
TURBOMOLE outputs as well as with PDB files (VIEWMOL is therefore suited as a
viewer for structural data on the World Wide Web). The programme can easily be
extended to read output of other programmes. VIEWMOL currently runs on Silicon
Graphics and IBM RS/6000 workstations. Its primary ftp site is
ftp://ftp.ask.uni-karlsruhe.de/pub/education/chemistry/viewmol.tar.gz.
------------ ORIGINAL README FILE --------
#*******************************************************************************
# *
# Viewmol *
# *
# R E A D M E *
# *
# (c) Andreas Bleiber, Joerg-R. Hill, October 1993 *
# *
#*******************************************************************************
#
# $Id: README,v 1.4 1994/03/02 01:29:40 qc Exp $
# $Log: README,v $
# Revision 1.4 1994/03/02 01:29:40 qc
# 8 bit graphics adapter support added
#
# Revision 1.3 1993/03/23 13:51:52 jrh
# dynamical memory allocation added
#
# Revision 1.2 1993/02/18 11:05:33 qc
# MO diagram and optimization history diagram routines added
#
# Revision 1.1 1993/01/18 14:43:00 jrh
# Initial revision
#
#
This file contains a list of all files belonging to the Viewmol programme.
Further distribution of Viewmol is only permitted if all these files are
distributed unmodified.
The documentation can be found in man/viewmol.html (this is a manual page
in HTML format and requires a WWW browser, it is also used as Viewmol's
online manual) and in viewmol.ps (a PostScript file) which contains the
same information.
A directory with examples of all file formats Viewmol is able to read is
included. After installing the programme you can change into directory
examples/turbomole and call viewmol without parameters. You will get a molecule
drawing if all is correct.
List of files:
total 4272
-rw-r--r-- 1 jrh qc 9025 Jun 13 14:20 README
drwxr-xr-x 8 jrh qc 512 May 26 13:25 examples
drwxr-xr-x 3 jrh qc 512 May 11 17:29 man
drwxr-xr-x 2 jrh qc 2048 Jun 14 14:23 source
-rwxr-xr-x 1 jrh qc 605207 Jun 14 09:04 viewmol.ibm
-rwxr-xr-x 1 jrh qc 771728 Jun 14 14:17 viewmol.mipsr3k
-rwxr-xr-x 1 jrh qc 771728 Jun 14 14:22 viewmol.mipsr4k
-rw-r--r-- 1 jrh qc 5757 May 11 15:07 viewmolrc
./examples:
total 48
drwxr-xr-x 2 jrh qc 512 Jan 5 15:58 discover
drwxr-xr-x 2 jrh qc 512 May 11 15:34 dmol
drwxr-xr-x 2 jrh qc 512 May 26 14:55 gaussian92
drwxr-xr-x 2 jrh qc 512 Jan 5 16:00 micromol
drwxr-xr-x 2 jrh qc 512 May 26 13:32 pdb
drwxr-xr-x 2 jrh qc 512 May 11 17:18 turbomole
./examples/discover:
total 96
-rw-r--r-- 1 jrh qc 1600 Mar 1 1994 methanol3.cor
-rw-r--r-- 1 jrh qc 24624 Mar 1 1994 methanol3.frq
-rw-r--r-- 1 jrh qc 15458 Mar 1 1994 methanol3.out
./examples/dmol:
total 256
-rw-r--r-- 1 jrh qc 128485 Mar 1 1994 GaAs.outmol
./examples/gaussian92:
total 504
-rw-r--r-- 1 jrh qc 84351 May 26 14:55 h2o.log
-rw-r--r-- 1 jrh qc 61407 Mar 1 1994 methanol.log
-rw-r--r-- 1 jrh qc 107751 Oct 22 1993 mmdc1.log
./examples/micromol:
total 192
-rw-r--r-- 1 jrh qc 94307 Mar 1 1994 nh3.out
./examples/pdb:
total 128
-rw-r--r-- 1 jrh qc 46851 May 26 13:40 fau1.pdb
-rw-r--r-- 1 jrh qc 11778 May 26 13:42 gpc.pdb
-rw-r--r-- 1 jrh qc 2374 May 26 13:39 octa.pdb
./examples/turbomole:
total 2432
-rw-r--r-- 1 jrh qc 2968 May 11 15:48 control
-rw-r--r-- 1 jrh qc 4903 Mar 1 1994 coord
-rw-r--r-- 1 jrh qc 176628 Mar 1 1994 grad
-rw-r--r-- 1 jrh qc 980011 Aug 16 1994 mo
-rw-r--r-- 1 jrh qc 68984 Mar 1 1994 spectrum
./man:
total 720
drwxr-xr-x 2 jrh qc 1024 Jun 13 14:15 html
-rw-r--r-- 1 jrh qc 3205 Jun 13 14:12 viewmol.html
-rw-r--r-- 1 jrh qc 360014 Jun 13 14:12 viewmol.ps
./man/html:
total 544
-rw-r--r-- 1 jrh qc 78 Jun 13 14:12 cross_ref_motif.gif
-rw-r--r-- 1 jrh qc 87 Jun 13 14:12 foot_motif.gif
-rw-r--r-- 1 jrh qc 1463 Jun 13 14:12 footnode.html
-rw-r--r-- 1 jrh qc 2645 Jun 13 14:12 history_dialog.gif
-rw-r--r-- 1 jrh qc 114 Jun 13 14:12 img1.gif
-rw-r--r-- 1 jrh qc 104 Jun 13 14:12 img10.gif
-rw-r--r-- 1 jrh qc 6872 Jun 13 14:12 img11.gif
-rw-r--r-- 1 jrh qc 1854 Jun 13 14:12 img16.gif
-rw-r--r-- 1 jrh qc 2725 Jun 13 14:12 img19.gif
-rw-r--r-- 1 jrh qc 114 Jun 13 14:12 img2.gif
-rw-r--r-- 1 jrh qc 61 Jun 13 14:12 img20.gif
-rw-r--r-- 1 jrh qc 54 Jun 13 14:12 img5.gif
-rw-r--r-- 1 jrh qc 4558 Jun 13 14:12 img8.gif
-rw-r--r-- 1 jrh qc 103 Jun 13 14:12 img9.gif
-rw-r--r-- 1 jrh qc 3988 Jun 13 14:12 mo_dialog.gif
-rw-r--r-- 1 jrh qc 172 Jun 13 14:12 next_motif.gif
-rw-r--r-- 1 jrh qc 3496 Jun 13 14:12 node1.html
-rw-r--r-- 1 jrh qc 1950 Jun 13 14:12 node10.html
-rw-r--r-- 1 jrh qc 3117 Jun 13 14:12 node11.html
-rw-r--r-- 1 jrh qc 2039 Jun 13 14:12 node12.html
-rw-r--r-- 1 jrh qc 2402 Jun 13 14:12 node13.html
-rw-r--r-- 1 jrh qc 2080 Jun 13 14:12 node14.html
-rw-r--r-- 1 jrh qc 2366 Jun 13 14:12 node15.html
-rw-r--r-- 1 jrh qc 3574 Jun 13 14:12 node2.html
-rw-r--r-- 1 jrh qc 9019 Jun 13 14:12 node3.html
-rw-r--r-- 1 jrh qc 3228 Jun 13 14:12 node4.html
-rw-r--r-- 1 jrh qc 33550 Jun 13 14:12 node5.html
-rw-r--r-- 1 jrh qc 4370 Jun 13 14:12 node6.html
-rw-r--r-- 1 jrh qc 3069 Jun 13 14:12 node7.html
-rw-r--r-- 1 jrh qc 16411 Jun 13 14:12 node8.html
-rw-r--r-- 1 jrh qc 16188 Jun 13 14:12 node9.html
-rw-r--r-- 1 jrh qc 220 Jun 13 14:12 previous_motif.gif
-rw-r--r-- 1 jrh qc 9905 Jun 13 14:12 spectrum_dialog.gif
-rw-r--r-- 1 jrh qc 145 Jun 13 14:12 up_motif.gif
-rw-r--r-- 1 jrh qc 40858 Jun 13 14:12 viewmol.gif
-rw-r--r-- 1 jrh qc 6783 Jun 13 14:12 wavefunction_dialog.gif
./source:
total 1176
-rw-r--r-- 1 jrh qc 6629 Jun 14 09:06 Makefile
-rw-r--r-- 1 jrh qc 6950 Jun 13 16:38 addgeo.f
-rw-r--r-- 1 jrh qc 9300 Jun 13 16:38 calcmo.f
-rw-r--r-- 1 jrh qc 4921 Jun 13 16:38 coledt.f
-rw-r--r-- 1 jrh qc 6077 Jun 13 17:12 cylinder.c
-rw-r--r-- 1 jrh qc 57043 Jun 13 17:12 dialog.c
-rw-r--r-- 1 jrh qc 4674 Jun 13 16:38 drawce.f
-rw-r--r-- 1 jrh qc 7515 Jun 13 16:38 drawel.f
-rw-r--r-- 1 jrh qc 20690 Jun 13 16:38 drawit.f
-rw-r--r-- 1 jrh qc 8431 Jun 13 16:38 drawop.f
-rw-r--r-- 1 jrh qc 9697 Jun 13 16:38 drawsp.f
-rw-r--r-- 1 jrh qc 5254 Jun 13 16:38 drwarr.f
-rw-r--r-- 1 jrh qc 2824 Jun 13 17:13 ellipse.c
-rw-r--r-- 1 jrh qc 2589 Jun 13 17:13 fsphere.h
-rwxr-xr-x 1 jrh qc 3165 Jun 13 16:38 getmachine
-rw-r--r-- 1 jrh qc 1702 Jun 13 17:13 getmem.c
-rw-r--r-- 1 jrh qc 15197 Jun 13 16:38 hpgl.f
-rw-r--r-- 1 jrh qc 5445 Jun 13 16:38 inert.f
-rw-r--r-- 1 jrh qc 53868 Jun 13 16:38 init.f
-rw-r--r-- 1 jrh qc 37339 Jun 13 16:38 input.f
-rw-r--r-- 1 jrh qc 1896 Jun 13 16:38 insint.f
-rw-r--r-- 1 jrh qc 35168 Jun 13 17:14 marcub.c
-rw-r--r-- 1 jrh qc 1141 Jun 14 09:01 marcub.h
-rw-r--r-- 1 jrh qc 9035 Jun 13 16:38 mkray.f
-rw-r--r-- 1 jrh qc 12255 Jun 13 16:38 mktex.f
-rw-r--r-- 1 jrh qc 32127 Jun 13 17:14 mo.c
-rw-r--r-- 1 jrh qc 3371 Jun 13 16:38 normod.f
-rw-r--r-- 1 jrh qc 12958 Jun 13 16:38 pltstr.f
-rw-r--r-- 1 jrh qc 2621 Jun 13 17:14 ray.c
-rw-r--r-- 1 jrh qc 5214 Jun 13 17:15 raytrc.c
-rw-r--r-- 1 jrh qc 8234 Jun 13 16:38 rddmol.f
-rw-r--r-- 1 jrh qc 58765 Jun 13 16:39 rdgaus.f
-rw-r--r-- 1 jrh qc 6503 Jun 13 16:39 rdmicm.f
-rw-r--r-- 1 jrh qc 2341 Jun 13 16:39 rdpdb.f
-rw-r--r-- 1 jrh qc 4716 Jun 13 17:15 savtif.c
-rw-r--r-- 1 jrh qc 3967 Jun 13 16:39 shopti.f
-rw-r--r-- 1 jrh qc 1306 Jun 13 17:15 sphdra.c
-rw-r--r-- 1 jrh qc 38301 Jun 13 16:39 viewmol.f
-rw-r--r-- 1 jrh qc 5782 Jun 13 16:39 viewmol.par
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