This tool provides advanced features for visualizing and analyzing various types of chemistry-related files. It offers a comprehensive suite of tools for extracting insights and trends from different data formats.
KryoMol is a KDE-based software designed for the visualization and analysis of various chemistry-related files. It offers support for a wide array of file formats, including Quantum Chemical Computation logs from Gaussian98/03, GAMESS, ACESII (german version), and NwChem, Molecular Mechanis Logs such as Tinker and Macromodel, as well as other formats like xyz or mol. The software also supports the analysis of 1D NMR spectra and JCAMP-DX spectra.
The installation process for KryoMol is straightforward. It is an autoconf/automake-based program and can be installed using the common configure/make/make install procedure. If you have root privileges, you can install KryoMol by running "./configure", followed by "make", "su", and "make install". However, it is recommended that you log out and log in again to load all new libraries and services properly.
If you do not have root privileges and want to try KryoMol, you can install it in a directory with write permissions. To do so, you must use the prefix switch in configure. For example, if you wish to install KryoMol under your personal KDE tree, you can run "./configure --prefix=/home/user/.kde", followed by "make" and "make install", and log out and log in again.
If you want to install KryoMol in a completely new KDE tree, such as /home/user/mykde, you can follow the same procedure as above. After running "./configure --prefix=/home/armando/mykde && make && make install", you must add the following 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."
Overall, KryoMol is a useful software for those in the chemistry field, providing support for various file formats and spectra analysis. The installation process is simple, and the software is compatible with both root and non-root users.
The installation process for KryoMol is straightforward. It is an autoconf/automake-based program and can be installed using the common configure/make/make install procedure. If you have root privileges, you can install KryoMol by running "./configure", followed by "make", "su", and "make install". However, it is recommended that you log out and log in again to load all new libraries and services properly.
If you do not have root privileges and want to try KryoMol, you can install it in a directory with write permissions. To do so, you must use the prefix switch in configure. For example, if you wish to install KryoMol under your personal KDE tree, you can run "./configure --prefix=/home/user/.kde", followed by "make" and "make install", and log out and log in again.
If you want to install KryoMol in a completely new KDE tree, such as /home/user/mykde, you can follow the same procedure as above. After running "./configure --prefix=/home/armando/mykde && make && make install", you must add the following 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."
Overall, KryoMol is a useful software for those in the chemistry field, providing support for various file formats and spectra analysis. The installation process is simple, and the software is compatible with both root and non-root users.
What's New
Version 0.6.7 / 0.7.0 Pre4: N/A