KryoMol A tool for visualization and analysis of several chemistry related files
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Chemistry chemistry vizualizer chemistry analysis chemical computation KryoMol vizualizer

KryoMol Description

A tool for visualization and analysis of several chemistry related files 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 spectraInstallation:KryoMol is a autoconf/automake based program and installs itself with the common configure/make/make install procedure.Installation as root./configuremake su make installand now log out and log in ( I strongly recommend this to properly load all new libraries and services). Installation as userIf 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/.kdemakemake installlog out and log in Installation as user in a new kde treeIf 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 installand now add this to your .bash_profile: MYKDE=/home/armando/mykdeexport KDEDIRS=$MYKDE:$KDEDIRSexport LD_LIBRARY_PATH=$MYKDE/lib64:$LD_LIBRARY_PATHexport PATH=$MYKDE/bin:$PATH What's New in This Release: · KDE4 first version

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