This software can parse and interpret computation results generated by various chemistry packages. It is ideal for scientists and researchers who need to analyze and process large amounts of data quickly and accurately.
CClib is a top-quality open-source library coded in Python to provide expert parsing and interpretation of the computational chemistry packages. The software works splendidly, currently parsing output files from an array of 6 different chemistry packages comprised of Gaussian, Jaguar, ADF, GAMESS, GAMESS-UK, and PC GAMESS.
CClib has been developed with utmost attention to detail and is equipped with a set of goals that define its purpose, including providing a simple and standard interface to the results of computational chemistry calculations that are useful for algorithms or visualization, facilitating the implementation of algorithms that are not specific to a particular computational chemistry package and lastly; maximizing interoperability with other open source computational chemistry and cheminformatic software libraries.
One of the highlights of CClib is that it has been licensed and distributed under the terms of the GNU Library or Lesser General Public License (LGPL), providing users with the freedom to modify, distribute and utilize CClib freely, whilst ensuring that the software remains open source.
Overall, if you are looking for a library that will precisely interpret the results of your computational chemistry packages, while also ensuring cross-compatibility with open source software libraries, CClib is one software worth considering.
CClib has been developed with utmost attention to detail and is equipped with a set of goals that define its purpose, including providing a simple and standard interface to the results of computational chemistry calculations that are useful for algorithms or visualization, facilitating the implementation of algorithms that are not specific to a particular computational chemistry package and lastly; maximizing interoperability with other open source computational chemistry and cheminformatic software libraries.
One of the highlights of CClib is that it has been licensed and distributed under the terms of the GNU Library or Lesser General Public License (LGPL), providing users with the freedom to modify, distribute and utilize CClib freely, whilst ensuring that the software remains open source.
Overall, if you are looking for a library that will precisely interpret the results of your computational chemistry packages, while also ensuring cross-compatibility with open source software libraries, CClib is one software worth considering.
What's New
Version 0.91: N/A