A tool for visualization and analysis of several chemistry related files
- 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
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
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:
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What's New in This Release:
- Gaussian09 support