A tool for visualization and analysis of several chemistry related files. #Chemistry vizualizer #Chemistry analysis #Chemical computation #KryoMol #Chemistry #Vizualizer
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
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
What's new in KryoMol 0.7.1:
- Gaussian09 support
KryoMol 0.7.1
add to watchlist add to download basket send us an update REPORT- runs on:
- Linux
- filename:
- kryomol-0.7.1.tar.gz
- main category:
- Science and Engineering
- developer:
- visit homepage
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