KryoMol

  1,831 downloads
0.7.1 GPL (GNU General Public License)    
2.7/5 22
A tool for visualization and analysis of several chemistry related files

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KryoMol project is a KDE based program for visualization and analysis of several chemistry related files. Currently KryoMol can cope with:

- Quantum Chemical Computation logs from Gaussian98/03, GAMESS, ACESII (german version), and NwChem
- Molecular Mechanis Logs: Tinker, Macromodel
- Other formats as xyz or mol
- 1D NMR spectra and JCAMP-DX spectra

Installation:

KryoMol is a autoconf/automake based program and installs itself with the common configure/make/make install procedure.

Installation as root

./configure
make
su
make install


and now log out and log in ( I strongly recommend this to properly load all new libraries and services).

Installation as user

If you dont have root privileges and want to try KryoMol you must install it in a directory with write permissions, therefore you must use the prefix switch in configure. For instance if you want to install under your personal kde tree

./configure --prefix=/home/user/.kde

make
make install


log out and log in

Installation as user in a new kde tree

If you want to install in a compleptly new KDE tree, for instance /home/user/mykde you must follow the above procedure:

./configure --prefix=/home/armando/mykde && make && make install

and now add this to your .bash_profile:

MYKDE=/home/armando/mykde
export KDEDIRS=$MYKDE:$KDEDIRS
export LD_LIBRARY_PATH=$MYKDE/lib64:$LD_LIBRARY_PATH
export PATH=$MYKDE/bin:$PATH
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Last updated on April 8th, 2010
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