Last Update: April , 2009
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.
For new program features, like Gaussian 03 support, please consult the history file on the Molden Home Page.
The zip-file and further information can be obtained from:http://www.cmbi.ru.nl/molden
This version does not run under Microsoft Windows 3.x (i.e. 16-Bit Windows), OS/2, Linux or for DEC Alpha !
I recommend that you download the molden_windows_nt_95.zip file from the Molden ftp-server located in the bin directory.
ftp> cd pub/molgraph/molden/bin/Windows/
ftp> get molden_windows_nt_95.zip
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 !!!!
And of course, you will need X Windows server software. A freeware X server for windows is 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:
The best X-emulator for windows is eXceed. For a comprehensive list of other commercially available X servers consult Kenton Lee's page:
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.
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:
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.
These X11R6.4 libraries used to compile molden were the work of Sergey Okhapkin (firstname.lastname@example.org) and Arlindo da Silva email@example.com.
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.
For additional information about Molden, please consult:http://www.cmbi.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 firstname.lastname@example.org.
This is for the X11R6.4 libraries used to built and run Molden:
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