viewmolrc
for getting informations
about atoms and available input and output filters. There may be three of these
files. VIEWMOL looks at first in the current directory for this file,
then in the users HOME directory for a file .viewmolrc
and finally in
the directory where the environment variable VIEWMOLPATH
points to.
In one of these three locations such a file must be found.
The file should contain the following data:
default
. The input filter connected with
default
is used if no command line option is passed to VIEWMOL.
name of input filter is the path to and name of the input filter
executable. If the input filter requires command line option (e. g. a file
name) they can be specified after the name of the input filter. %s
is
used as a placeholder for file names. The path or name of the input filter can
contain environment variables or the string $OSNAME
. The latter is
replaced by the subdirectory name for the machine VIEWMOL is currently
running on.%s
%s
is
used as a placeholder for the output file name. Environment variables or the
the string $OSNAME
can be used in the same way as for input filters.bd
the
following description describes a bond (stick). Currently only the rad
field is interpreted as the radius of the sticks. All other fields are ignored
and the stick is drawn with the surface description of the atom it belongs
to. uc
specifies a unit cell corner. Radius and color given here affect
the appearance of the unit cell. ps
and ms
specify the surface
properties for the postive and negative isosurface, respectively, used to draw
wave function related topics. In these cases the radius is not used.
surface is an optional specification for the surface used when stick,
ball, or CPK drawing with surfaces is activated. surface is a list of
one or more of the following options
Any line starting with '#' is treated as a comment.
VIEWMOL now also makes extensive use of X Windows resources. All standard
search algorithms for the location of the resources apply (see e. g. O'Reilly
books on X Windows). VIEWMOL has English resources compiled in. Resources
for other languages are provided in files Xdefaults.<language>
and might
be installed as described in the installation section of this manual (p.
).
The following resources are used to specify the defaults. They can be
overwritten in the user's $HOME/.Xdefaults
file.
Viewmol*geometry: 500x500+50+50 Viewmol.history.geometry: 500x250+50+590 Viewmol.spectrum.geometry: 500x250+50+590 Viewmol.MODiagram.geometry: 250x500+565+50 Viewmol.Bell: <no default> Viewmol.model: wire Viewmol.drawingMode: surface Viewmol.bondType: conjugated Viewmol.sphereResolution: 10 Viewmol.simplifyWhileRotating: True Viewmol.interpolation: linear Viewmol.bondLength: %7.4f Ang Viewmol.bondAngle: %7.2f deg Viewmol.torsionAngle: %7.2f deg Viewmol.wavenumbers: 0:5000 Viewmol.isosurface: 0.05 Viewmol.reservedColors: 0 Viewmol*spectrumForm*amplitudeSlider.decimalPoints: 2 Viewmol*spectrumForm*amplitudeSlider.minimum: -250 Viewmol*spectrumForm*amplitudeSlider.maximum: 250 Viewmol*spectrumForm*scaleSlider.decimalPoints: 2 Viewmol*spectrumForm*scaleSlider.minimum: 50 Viewmol*spectrumForm*scaleSlider.maximum: 150 Viewmol*wavefunctionForm*level.minimum: 1 Viewmol*wavefunctionForm*level.maximum: 100 Viewmol*wavefunctionForm*grid.minimum: 4 Viewmol*wavefunctionForm*grid.maximum: 20 Viewmol*wavefunctionForm*grid.value: 10 Viewmol*MODiagramForm*resolution.minimum: 1 Viewmol*MODiagramForm*resolution.maximum: 1000 Viewmol*MODiagramForm*resolution.decimalPoints: 3 Viewmol*MODiagramForm*resolution.value: 10 Viewmol.paperSize: A4 Viewmol.viewer*font: variable Viewmol.spectrum*font: variable Viewmol.history*font: variable Viewmol.MODiagram*font: variable Viewmol*viewer.canvas.background: white Viewmol*viewer.canvas.foreground: gray75 Viewmol*spectrum.canvas.background: white Viewmol*spectrum.canvas.foreground: black Viewmol*history.canvas.background: white Viewmol*history.canvas.foreground: blue Viewmol*MODiagram.canvas.background: white Viewmol*MODiagram.canvas.foreground: black Viewmol*foreground: black
The Viewmol.Bell
resource is the only resource which does not have
a default. As long as this resource is not set the standard keyboard bell
is rung as soon as a selection in one of the windows is made by mouse click.
This resource can be set to the name (and command line parameters) of any
program which shall be run instead, preferably one which produces a nicer
sound effect.
The Viewmol.model
resource can be set to wire, stick, ball, or cpk.
The Viewmol.drawingMode
resource can be set to dot, line, or surface.
The Viewmol.bondType
resource can be set to single, multiple, or
conjugated. The Viewmol.interpolation
resource can be set to none,
linear, or logarithmic. The resources for specifying formats for bond lengths,
bond angles, and torsion angles have to contain a valid C format string for
printing a floating point number. The resource for the bond lengths recognizes
Ang, pm, bohr, and au in the format string as units and converts the bond
lengths accordingly. The Viewmol.reservedColors
resource can be used to
limited the number of colors allocated by VIEWMOL if it runs in colormap
mode. VIEWMOL tries to allocate as much colors as it can. This might
interfere with others program. In this case Viewmol.reservedColors
can be used to tell VIEWMOL to leave the specified number of colors
unallocated. In case of the specifications for the sliders the values given for
minimum and maximum have to be multiplied by . I. e. if the
number of decimals is to be changed also minimum and maximum have to be
changed. Paper sizes currently recognized are A5, A4, A3, Letter, Legal, and
width x height where width and height are in
millimetres.
The Viewmol*viewer.canvas.foreground
resource is used for the color
of the ground if perspective drawing is enabled. Some of these options will
be set if the Save configuration
option in the main window menu is
used (cf. p. ).