viewmolrc
for getting informations
about atoms and available input 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.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 colour 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.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*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
programme 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.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 programmes. 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 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.