http://www.ks.uiuc.edu/Research/vmd/ Andrew Dalke <dalke@ks.uiuc.edu> Mon Jul 31 14:14:06 1995 lifn:nhse:da6ef6a489b9237f63019931414a2891 Partially reviewed VMD - Visual Molecular Dynamics <version>1.0 <pubdate>July 1, 1995 <author>Bill Humphrey, Andrew Dalke, Jon Leech, Ken Hamer, Jim Phillips <contact>vmd@ks.uiuc.edu <abstract>VMD is a molecular graphics program designed for the interactive visualization of bioppolymers such as proteins, nucleic acids, and lipids and membranes. Its features include: Molecular visualization - it can read PDB and X-PLOR PSF files or automatically call Babel for translation of other types. Parts of molecule can be selected and rendered in multiple styles including licorice, ribbons, and van der Waal spheres. Stereo displays are supported. Raster outputs are available though ray tracing packages like Raster3D. Visualization of dynamics molecular data - VMD can read and animate DCD files or acquire the timestep information from a running molecular dynamics program. The only supported program is namd (see http://www.ks.uiuc.edu/Research/namd/) Display and control of molecular dynamics simulations - VMD is the visualization component of the MDScope project which will allow for user directed molecular simulations. Support for several input and display devices - these include the UNC tracker library for spatial trackers and the CAVE library for use in many stereo environments. Easy to modify and extend -- the source code is documented and a Programmers guide exists for thos wishing to modify the C++ code. VMD uses the Tcl script language which allows for the creation of loops, functions, and other control structures as well as being extensible in its own right. <reference> Nelson, M., Humphrey, W., Gursoy, A., Dalke, A., Kale, L., Skeel, R., Schulten, K., and Kufrin, R., "MDScope: A Visual Computing Environment for Structural Biology" Computer Physics Communications (1995). (In Press). </reference> <environment>Requires GL or NPGL, though we are porting to OpenGL. Binaries available for SGIs running IRIX 5.x. Source code is in C++ and compiles on vendor compilers for SGI and HP. lex and yacc also needed. Not yet tested with gcc. Highly suggested compiling along with FORMS and Tcl. Additional optional interfaces include Babel, Raster3D, Rayshade, POV-Ray, the CAVE, and the UNC tracker library. <copyright> VMD is not public domain software. It is copyright by the Theoretical Biophysics Group and the University of Illinois, with all published and unpublished rights reserved. Permission is granted by the authors to use this software for noncommercial and nonprofit purposes. Commercial use of this software is prohibited without explicit consent from the VMD developers. VMD IS PROVIDED ``AS IS'' WITHOUT WARRANTY OF ANY KIND, EITHER EXPRESSED OR IMPLIED. THE ENTIRE RISK AS TO THE QUALITY AND PERFORMANCE OF THE SOFTWARE IS WITH YOU. SHOULD THE SOFTWARE PROVE DEFECTIVE, YOU ASSUME THE COST OF ALL NECESSARY SERVICING, REPAIR OR CORRECTION. </copyright> <comments>User documentation is available at http://www.ks.uiuc.edu/Research/vmd/ug/ug.html Programmer documentation is at http://www.ks.uiuc.edu/Research/vmd/pg/pg.html Compiling and installation guide is at http://www.ks.uiuc.edu/Research/vmd/ig/ig.html <keywords>image processing; data visualization; application program; molecular biology <category>application </urc>