KryoMol 0.7.1

A tool for visualization and analysis of several chemistry related files
KryoMol
  3 Screenshots
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

last updated on:
April 8th, 2010, 14:44 GMT
price:
FREE!
homepage:
desoft03.usc.es
license type:
GPL (GNU General Public License) 
developed by:
Dr. Armando Navarro-Vazquez
category:
ROOT \ Science and Engineering \ Chemistry
KryoMol
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What's New in This Release:
  • Gaussian09 support
read full changelog

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