An addition to molden is the capability to view orbitals/density etc.
with the OpenGL graphics library. This is accomplished via a helper program called
moldenogl, this needs to be build separately (make moldenogl). You need to
place this program in a directory which is in the default path, say
/usr/local/bin. You can evoke it from the Xwindows interface under the
icon in the density mode, option OpenGL.
Molden will write a file molden.ogl, which will be read by the helper program. If you want to save this file you will have to rename it before you choose OpenGL again. You can run 'moldenogl' standalone.
moldenogl file.oglThis has been tested for Silicon Graphics and linux. The latter needs the MESA graphical library have a look at Mesa Home Page You may need to activate the 'LIBSG' line for your platform in the makefile for molden. You can built it by typing:
Use the mouse to rotate the scene, drag while holding down the left mouse button. Further commands:
Left Mouse button - rotate Left Mouse button + Shift - translate Left Mouse button + Control - zoom in / out Right Mouse button - bring up options One letter commands: m - toggle molecule x,y,z,X,Y,Z - move position of lightYou can download the moldenogl for SGI here and moldenogl for linux here.
You can download two example files for moldenogl here: example1 and example2
PS On linux the mesa libraries are installed in the the directory /usr/local/lib. This may give the problem that moldenogl cant find these libraries, you can remedie this by either copying the libraries to /usr/lib, or setting the environment variable; LD_LIBRARY_PATH, in say /etc/csh.cshrc (setenv LD_LIBRARY_PATH "/usr/lib;/usr/local/lib") Older implementation of mesa use the library names libMesaGL and libMesaGLU instead of libGL and libGLU, if you use the moldenogl from the anonymous ftp site, you will have to create links for these library names to the actual libraries: In the directory where libMesaGL.so and libMesaGLU.so reside: ln -s libMesaGL.so libGL.so ln -s libMesaGLU.so libGLU.so Mesa 2.5 and later includes Mark Kilgard's GLUT library (GL Utility Toolkit). GLUT is built automatically on systems which support it. if you have an older version you need to install it your self, have alook at The GLUT home page
You can generate a .ogl file from a molden keyword file by use of the keyword OPENGL.