Installation of Molden

Molden is a program for visualizing molecular strucutre in 3D, molecular density, electron density, and molecule orbitals from the ab initio packages, such as GAUSSIAN, GAMESS-US, GAMESS-UK, Q-Chem, DALTON, etc. the semi-empirical packages Mopac/Ampac. It is free, light, fast, and powerful molecular viewer. Official website of Molden is http://www.cmbi.ru.nl/molden/molden.html

Instruction of installation is following

1. Go to Molden website. http://www.cmbi.ru.nl/molden/molden.html

2. Look at Molden Topics. Click How to get a copy of Molden ?.

3. Click Anonymous FTP.

4. Look at the latest version of molder. The day I post this post, the newest release is molden5.8.tar.gz.

Copy link address to download this source code.

5. Open new terminal on your Linux machine.

6. Download molden source code from (4) using command

wget ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden5.8.tar.gz

7. Uncompress tar.gz file using command

tar xzvf molden5.8.tar.gz

8. Compile Molden using gFortran.

cd molden5.8

make

Wait for a while until it's finished.

9. An executable of Molden is molden.

10. Try to run Molden (or gMolden), e.g. opening Gaussian output file.

./molden5.8/molden gaussian_output_file.log

./molden5.8/gmolden gaussian_output_file.log

If you get any error during make ! You can try following suggested commands to solve the problem.

1) Comment # on the line of LIBES, e.g.

#LIBS = -L/usr/X11R6/lib -lX11 -lm

in "/molden5.7/makefile" before make. Then command make again.

2) After make finished, try

install -t /usr/local/bin -m 755 molden gmolden

Rangsiman Ketkaew