This project consists essentially in a set of tools to deal with some molecular modeling troubles. I am a computational chemist and very often I face myself with some very annoying and repetitive tasks. From the necessity to develop some software to do the work instead of me, and from my interest in C programming, I decided to start the develop of this project. It doesn’t claim to go anywhere. I just develop it in my spare time implementing the functions that I need or that I’m most interested in.
Just to describe briefly, cygne involve the development of two subprojects: the
libcygne library and the
cygne software. The
libcygne library contains all the functions written. They involve the reading and writing of common chemical file format, functions to move, rotate or align molecules, generate graphene layers, doins some simple matrix algebra, and so on. All function names begin with the
cyg_ prefix in order to avoid collapsing with other library function names.
The second subproject, the
cygne software, aimes to give an interactive command line frontend to the
libcygne library. Work are continuously in progress in both the library and the software and, at the moment, all can be just considered a draft, a container to be filled of interesting functionalities. If you wish to get any option, capability or improvement implemented feel free to ask.
For more information, see the project main page.