Molden
by G. Schaftenaar
Molden is a graphical program that will allow users of a wide variety of molecular modelling codes to visualize their results, including G98/G03,
GAMMES-US, GAMMES-UK, and MOPAC/AMPAC.
Running Molden:
chmsgi and any SGI machine that is running IRIX 6.5 or later and has chmsgi:/chem mounted - you will need to add the following line to your .tcshrc file:
alias molden '/chem/Molden/molden'
k2 - you will need to add the following line to your .tcshrc file:
alias molden '/usr/local/lms/Molden/molden'
cosmos - you will need to add the following line to your .bashrc file:
alias molden '/usr/local/lms/Molden/molden'
agave - you will need to add the following line to your .tcshrc file:
alias molden '/tmp1/mouse/Molden/molden'
To run Molden, type: molden at the shell prompt
Trouble-Shooting:
If you are running Molden remotely and receive the error:
Xlib: connection to "labmol4.chem.tamu.edu:0.0" refused by server
Xlib: Client is not authorized to connect to Server
Error: Can't open display:labmol4.chem.tamu.edu:0.0
You need to use X11 forwarding when you ssh:
ssh -X username@remote_machine_name
you may have to include the -Y flag from a linux box:
ssh -X username@remote_machine_name
If you still receive the above error, the remote machine may not be setup to accept X11 forwarding. The supercomputers, chmsgi, and labmol machines are all setup to accept X11 forwarding.
error:
molden: Command not found.
The alias that you created in your .tcshrc is either incorrect or has not been activated yet. Check the line in your .tcshrc
file and make sure it matches the commands given above. To activate the modified .tcshrc you may logout and log back in or simply type:
source .tcshrc
This will activate any changes made to your .tcshrc file.
