The first step in using the configure script is to set the values of configurable parameters. The configure script first assigns default values to these parameters, and then checks to see if the file configure.parameters exists. If it does, the script will read this file and use the values for parameters listed there. Edit the file configure.parameters and change the settings of the variables to the required values. The file is interpreted as a Bourne shell script, so blank lines and comments beginning with the # character are permissable. All parameters are of the form <keyword>=<value>
with no space characters on either side of the equal sign. This section lists the keywords, purpose, and possible values for each parameter. If a parameter is not listed at all in the file configure.parameters, its default value will be used.
The following parameters control where and how VMD is installed after compilation. They do not have any effect on how VMD is compiled. It is easiest to change these at the same time other parameters are being changed, so the configure script need only be run once. Edit the file configure.parameters in the main working directory to change these settings.
The directory where scripts and utility programs are installed. This should be a directory which is in the path of all users interested in running VMD .
A directory in which VMD data files and architecture-specific executables are placed. This directory should not be in the path of users running VMD .
VMD uses a shell script to run the proper VMD executable for the given version of Unix (the script also sets some environment variables and starts an xterm running to act as the VMD console). INSTALLNAME is the name given to this shell script, and will be the command users type to run VMD . When the program is installed, the file bin/vmd is then copied to the file INSTALLBINDIR/INSTALLNAME.
These parameters determine various aspects of how VMD is compiled, for example the names of data files and maximum array sizes. Edit the file configure.parameters in the main working directory to change these settings.
The Tcl library is used by VMD to interpret and execute text scripts; there is also the option to use the Tk library for the graphical user interface. This parameter determines where to look for Tcl and Tk header files. If Tcl is not installed on your system, this option is ignored. ALso, if Tcl is not installed, do not request the TCL or TK options when configuring VMD .
This parameter determines where to look for Tcl and Tk library files, just as TCL_INCLUDE_DIR determines where to look for header files. If Tcl is not installed on your system, this option is ignored.
VMD uses the program babel to convert different molecular data files to PDB files, in order to allow it to understand a large number of file formats. DEFBABELBIN determines the location of the babel executable which VMD should use. It should include the complete path and name of the babel program. If VMD cannot find a babel executable, only PSF, PDB, and binary DCD files will be understood by the program. If babel is not installed on your system, this option is ignored. The environment variable VMDBABELBIN can also be used to override this value when VMD is run.
The default display device to use when VMD starts up, if not set by the initialization file or a command-line option. This can be WIN, CAVE, or TEXT.
The default value for the distance, in `world' coordinates, from the origin to the display screen. If this is zero, the origin of the coordinate system in which molecules are drawn coincides with the center of the display. If it is < 0, the origin is located between the viewer and the screen, while if it is > 0, the screen is located closer to the viewer than the origin. A value < 0 puts any stereo image in front of the screen, aiding the three-dimensional effect; a value > 0 results in a stereo image that is behind the screen, a less dramatic (but easier to see, for some people) stereo effect when stereo display is in effect.
This parameter, with DEFDIST, defines the size and distance of the display screen. DEFHEIGHT is the default value for the screen height, which is the vertical size of the display screen in `world' coordinates. Each molecule is initially scaled and translated to fit within a 2 x 2 x 2 box centered at the origin; so the height of the screen helps determine how large the molecule appears initially. The default value is 6, and with the default value of DEFDIST this allows the molecule to fill up most of the screen at the start. If VMD is being displayed on a workstation monitor only, it is best not to change this value much. This parameter is used mainly to configure the VMD display to the dimensions and position of a large-screen display, such as a projector, that may be being used as a stereo display. See the ``Customizing VMD '' section of the Installation Guide for more discussion about the DEFDIST and DEFHEIGHT parameters.
Online help information is provided by VMD by displaying a help file in HTML format, using an external HTML viewer. This parameter sets the default name of the program to use to view HTML files. The environment variable VMDHTMLVIEWER can also be used to override this value when VMD is run.
The default setting for the flag which indicates whether to display a title screen when VMD starts up. This can be ON or OFF.
The directory which VMD should use to store temporary files.
The name of the VMD initialization file.
The maximum number of characters which are considered when words in a text command are processed. It determines how many characters maximum distinguish different words. It is suggested to not change this value, which can be any positive integer.
The current version number of the program.
The string displayed as a prompt for text command input. This can be any string, and should be enclosed in double quotes.
The name of the VMD startup command script.