VRMol

Brian T. Luke, Ph.D.

[email protected]

VRMol lets you generate VRML plots (*.wrl) of chemcial structures obtained from various sources. The structure files currently supported by VRMol are given in the following table.

Source Description
Brookhaven PDB Though BNL no longer maintains the Protein Data Bank, this label is used to denote a "standard" PDB file.
Brian's PDB This is a PDB-like file that is used for input and output structures from various programs I have written (EPOPT, GENOPT, SimVol and others).
Gaussian Output This is an output file from Gaussian9x.
Mopac7 Output This is an Output file (not an Archive file) from Mopac7.
SimVol Output This is an output file from the program SimVol. By default, this file is named PDBOUT and contains two overlapped structures in my PDB-like format.
Obtaining VRMol
To download VRMol, simply hold down the [Shift] key and click on vrmol.tar.gz.
Installing VRMol
To install VRMol, simply move this compressed tar file to a new directory and enter the commands 

     gunzip vrmol.tar
     tar -xvf vrmol.tar
If gunzip is not installed on your system, please consult Installing and Running gzip/gunzip. When this file is untarred, four subdirectories will be created. The names of these subdirectories and there contents are listed below.

Subdirectory Contents
doc The VRMol User's Guide in HTML format (start reading at vrmolm0.htm).
exe All VRMol executable scripts and programs (if not executalbe use the command chmod +x *).
input Various VRMol input files that can be used to test the program.
output Various output (*.wrl) files generated by VRMol.

In order to efficiently run VRMol, you need to make sure that all of the executables in the exe directory are accessible, no matter what directory you are in. To do this, you have two choices:

  1. You can update your PATH variable so that this exe directory is included.
  2. You can move all of the files in the exe directory to a directory that is already defined in your PATH.

For information on how to run VRMol, please consult the VRMol User's Guide. This guide is available online and in the doc subdirectory (./doc/vrmolm0.htm).

Disclaimer
Please note that this free package is distributed "as is" and comes with no explicit or implicit warranties. The program author is to be held blameless for any actions that occur while running the package.

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� 1999 Brian T. Luke, Ph.D.