Molden 4.7 for Microsoft Windows 95, 98, XP, Vista

and Windows NT 4.0

Last Update: April , 2009

Contents

What is it?

 

The installation image contains Molden, an interactive visualization program for chemical structures, orbitals, total electron density, difference density, and electrostatic potential , ESP charges and Distributed Multipole Analysis, from Gijs Schaftenaar compiled for Microsoft Windows 95/Windows NT 4.0.

This distribution contains:

 

You must have Windows 95, 98, XP, Vista or Windows NT 4.0 SP3 to use this software.

 

Whats new in this release

For new program features, like Gaussian 03 support, please consult the history file on the Molden Home Page.

Availability

The zip-file and further information can be obtained from:

https://www.theochem.ru.nl/molden

Note:

This version does not run under Microsoft Windows 3.x (i.e. 16-Bit Windows), OS/2, Linux or for DEC Alpha !

Installation

I recommend that you download the molden_windows_nt_95.zip file from the Molden ftp-server located in the bin directory.

ftp ftp.science.ru.nl
Name: anonymous
Password: login_name_or_your_local_machine
ftp> passive
ftp> cd Molden/bin/Windows/
ftp> binary
ftp> get molden_windows_nt_95.zip
ftp> quit

I am assuming you have a zip-compatible decompression program like WinZip. Unzip the molden_windows_nt_95.zip directly into the directory from which you will run molden. You may have to create it first.

PLEASE read this !!!!

  1. Install into a different directory if you have previous versions of molden installed!
  2. You must run molden from this directory, use molden's file manager to read in files.
  3. Create a folder "tmp" and "temp" in drive C:. Otherwise you will get errors when molden tries to write temporary files.
  4. The default for the OpenGL helper program MOGL is to create low quality spheres for atoms. If you want high quality create a shortcut to MOGL.EXE and add the "-r" commandline option

 

X windows emulator

And of course, you will need X Windows server software. A freeware X server for windows is XMing:

http://sourceforge.net/projects/xming

This server is somewhat limited as it does not fully support the Athena widgets (menu items when selected become invisible!). There is a fully functional demo (2 hour limit) from Starnet which is somewhat nicer:

http://www.starnet.com/product.htm

The best X-emulator for windows is eXceed. For a comprehensive list of other commercially available X servers consult Kenton Lee's page:

http://www.rahul.net/kenton/xsites.html

Remarks:

  1. You must have some form of TCP/IP support on your Win95/NT box in order to have your X clients talking to the X Server. If you don't have a network card installed, in the very least you will need the Win95/NT dial-up network component installed (the same stuff you use to connect to an ISP).
  2. Starnet's X-win32 does not work well if you have a dial-up network and you are not connected. Workaround: disable DNS, but remember to enable it back when connecting to your ISP. No such problem if you have a network card installed.

Running molden with the supplied test files

You have to get the test files separately from the cmbi ftp site

Be sure to use the Binary transfer mode in ftp (the bin ftp command).

 

If all things work correctly you can put the display environment into a batch file to start up molden like in the included molden.bat file, you may have to customize this file and also the file molden.csh, which contains the path of Gaussian98 (windows version) and the full path of the executable to start the X-windows emulator.

Here startx is just an example, what you have to fill in here depends on the Xserver emulator you use.

Difference between Unix and MSdos text file formats

This section refers to older versions of Molden that needed an external program to convert files from ms-dos style format to unix type format: In a Unix text file each line ends with a LF (line feed character). In a MSdos text file each line ends with a CR and LF (Carriage Return and Line Feed character). Cygwin forces you to choose for one of these formats. Molden will correctly read Unix formatted text files. To convert a MSdos text file use the included dos2unix utility. Use it from a MSdos window:

dos2unix filename

 

or when using a absolute path, use the cygwin filename convention:

C:\tmp\file.txt becomes /cygdrive/c/tmp/file.txt

The windows version of gaussian produces MSdos-style text files which have to be converted into Unix-style text files before molden can deal with them properly.

Credits

These X11R6.4 libraries used to compile molden were the work of Sergey Okhapkin (sos@prospect.com.ru) and Arlindo da Silva dasilva@alum.mit.edu.

The Fortran 77 and C/C++ compilers used was the PGCC-1.03 for Win32 port from Sergey Ohapkin based on the GnuWin32 B20 project by Cygnus Solutions Inc.

And of course Molden was written by Gijs Schaftenaar.

 

Additional Information

For additional information about Molden, please consult:

https://www.theochem.ru.nl/molden

The PC version of molden was initiated by Alexander Klinsky, (Institute of pharmaceutical chemistry - University of Vienna). Alexander no longer provides support for the PC version of molden. Please direct your questions to the author of molden personnally schaft@science.ru.nl.
Who wishes to acknowledge the efforts of Alexander Klinsky.

Revision History

 

Legal Notices

This is for the X11R6.4 libraries used to built and run Molden:

Copyright c 1996 X Consortium

Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, dis- tribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the fol- lowing conditions:

The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABIL- ITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE X CONSORTIUM BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABIL- ITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.

Except as contained in this notice, the name of the X Consortium shall not be used in advertising or otherwise to promote the sale, use or other dealings in this Software without prior written authorization from the X Consortium.

X Window System is a trademark of X Consortium, Inc.