XenoView is Windows based software for molecular dynamics simulations.
We wrote it for our own projects, originally did not meen to distribute it or sell it for profit. XenoView helps our students to stay focused on
their research and reduces learning time. It works very well, so you might consider using it for your projects.
We believe that XenoView is great program because:
1. XenoView is easy to use. Unlike many other simulation programs, it includes interactive Graphical User Interface which is made
in compliance with Windows standards. We believe that the interface is very user friendly and easy to learn. Do not waste your time learning fancy interfaces or program-specific commands,
do your research instead!
2. The default options implemented in XenoView for NVE, NVT and NPT ensembles usually work well. You may start your work immediatelly after installation.
And, yes, XenoView works just fine on moderate-level PC.
3. XenoView can be used for variety of problems, including simulation of
inorganics, polymers and proteins. The force field parameters are automatically assigned in most cases.
4. XenoView interface provides extensive tools for creating of the structure from the scratch. You may use
clipboard to copy part of the structure or to move molecules from one structure to the other. Included polymer- and amorphous structure builders make the job easy. Also, you can import
structure from many formats (including popular pdb format for protein structure) or simply from text file with atom coordinates.
If needed, missing information about covalent bonds between the atoms can be automatically recovered.
5. XenoView uses the most advanced universal PCFF-type force fields with anharmovic corrections, needed to
study the properties related to the vibrational spectra of the material (thermal properties first of all). For more
information about PCFF force field visit
ACCELRYS web page. Several other force fields, including AMBER, are also supported.
6. XenoView is flexible. You can modify force field parameters, create complex temperature distributions
and apply external forces by using simple script language, and do many other things. You will be surprised how easy all these thing can be done.
7. With XenoView interface you can easily plot and analyse your simulation results.
You can view animated trajectories and even save them to the avi file!
8. You can use XenoView interface with your own simulation software. The help files provide all required information
and show some code examples.
9. And, finally, XenoView is free!
Also, you may request the source code of the simulation modules from us.
We understand that many things beyond basic molecular dynamics may require the modification of the source code.
With the modified simulation module, you still will be able to plot your data and control the simulation
from XenoView interface.
Good videocard with OpenGL is required for better performance. Sample screenshots of the program can be found here.
Two simulation modules are included in the package. One module can perform energy minimization
using conjugate gradient algorithm, the second module is for classical molecular dynamics simulation.
XenoView user manual is available in HTML and PDF formats.
XenoView is free for non-commercial use only. For more information, please refer to the
06/12/08: XenoView v. 3.6 has been released
Thanks everyone for your interest and feedback which helped to make the program even better!
New version is completely compatible with the previous version and may be installed on top of it. New registration is not needed.
New in v. 3.6 :
1. Nearest neighbor search and Voronoi tessellation procedures were modified to provide better stability, faster calculations and more reliable results; thanks to new algorithm.
2. The bug in energy minimization procedure was fixed, resulting in much better stability for highly unbalanced structures.
3. The bug in GUI was fixed, which has been the reason of glitches in bond selection and drawing on some videocards.
4. Fixed the bug in flashing routine, which was the cause for extensive resource usage and difficult navigation.
5. User interface for MD simulation was modified to exclude possible mistakes. New pre-defined modes like heat current simulation and theta-solvent simulation were added, by the way.
6. Bug in polymer builder was fixed, which sometimes resulted in errors in head and tail definitions.
7. Many new commands and options are added. To name a few: commands for measuring the distance between the atoms, calculating the persistence length of polymer chain, etc.
01/24/07: XenoView v. 3.4 (beta) is released
New in this version:
1. Program architecture has changed considerably. FULL UNINSTALL of previous version is strongly recommended before installing the new version. New registration is not required.
2. Some procedures for simulation modules were re-written in Assembler (50% average speed increase);
3. GUI performance improved;
4. Some minor bugs are fixed;
05/12/06: XenoView v. 3.0 (beta) is released
New in this version:
1. Multiple energy minimization sessions are now allowed;
2. The changes of the structure can be monitored while MD or energy minimization is executed;
3. Force field parameters can be easily modified for all energy terms including cross-terms;
4. Polymer chain builder is impemented for easy creating of atactic, isotactic or syndiotactic chains;
5. Polymer chain packing procedure is implemented for creating of amorphous polymer structures;
6. Improved menu options for easier work;
7. Many minor bugs are fixed;
Copyright 2002 Rensselaer Polytechnic Institute. All worldwide rights
reserved. A license to use, copy and distribute this software
for non-commercial research purposes only is hereby granted, provided
that this copyright notice and accompanying disclaimer is not
modified or removed from the software.
The software is distributed "AS IS" without express or
implied warranty, including but not limited to, any implied
warranties of merchantability or fitness for a particular purpose or
any warranty of non-infringement of any current or pending patent
rights. The authors of the software make no representations about the
suitability of this software for any particular purpose. The entire
risk as to the quality and performance of the software is with the
user. Should the software prove defective, the user assumes the cost
of all necessary servicing, repair or correction. In particular,
neither Rensselaer Polytechnic Institute, nor the authors of the
software are liable for any indirect, special, consequential, or
incidental damages related to the software, to the maximum extent the
For versions 2.6.5 and newer, we will ask you to register your copy of XenoView before using it for the first time.
The purpose is to keep the statistics of installed copies and to maintain the list of users who would like to receive information about future updates.
Preffered option is online registration, which is (supposed to be) fast and trouble-free.
All you need is the internet connection at time of registration.
We do not collect information from your computer except for the IP address and serial number of system hard drive (which is needed to
generate hardware ID). You are not required to submit any personal information.
However, it might be good idea to give us your contact e-mail addresss if you want to be informed about future updates.
If You have questions about registration, or have problems registering XenoView, please do not hesitate to write to
You can also register by sending an e-mail. You need to run offline registration program "XenoRegOffline.exe" (installed with XenoView),
send the numerical key that it generates to firstname.lastname@example.org,
and open the the registration key that you will receive back.
If you use XenoView for your research and publish results, don't forget to include the reference.*
XenoView will run correctly only on WinNT - based operating systems (i.e. WinNT, Win2000, WinXP, Vista).
On Vista, however, you might need to have administrative privileges (program needs write access to temporary folder which is in installation directory).
To download XenoView, click here.
Please send your comments about this program and bug reports to
*S.Shenogin, R.Ozisik XenoView v.3.4 2007
Copyright © 2004, Sergei Shenogin. All Rights Reserved.
Design and programming: Sergei Shenogin
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