Hi Nitish, Welcome and best of luck. Hope you enjoy your project, and I look forward to seeing your progress.
- Noel O'Boyle On 8 May 2017 at 14:06, Nitish Garg <nitish.garg.6...@gmail.com> wrote: > Hi everyone, > > I am working on the project "Computational Chemistry Web repository" during > GSoC 2017. > This project will require using cclib, 3Dmol.js, OpenBabel (and probably > RDKit in extension of this project) and thus, it suits to introduce this > project to the various mailing lists. > > This project is completely new and I would love to receive ideas from the > community on additional functionalities that can be added to this project. > Also, the official name of this project is yet to be fixed. I had suggested > 'CCviewer'. Let us discuss an appropriate name for the project. > > Project abstract: > cclib is used to parse calculation results from various chemistry software > log files. This project will be a flask-based framework making use of cclib > to parse a collection of such log files, store the parsed data in a database > and enable searching & filtering of these data records via a REST API. The > web front-end will be based on this API. Also, a chemistry software log file > can be uploaded on the webpage which will be parsed with cclib to show the > results. > Thus, this project will provide a web GUI for cclib, add searching > capability and also make use of 3Dmol.js to visualize the molecule in > browser (when file is uploaded as well as in search results). > > I had started with the simple functionality of showing parsed results from > uploaded file. The current code can be seen at : > https://github.com/nitish6174/cclib-web. > I hope to migrate the code to a new repository under OpenChemistry's github. > > Thanks, > Nitish Garg > B.Tech undergraduate, IIT Guwahati > GitHub : https://github.com/nitish6174 > Website : http://nitish6174.com/ > > ------------------------------------------------------------------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! http://sdm.link/slashdot > _______________________________________________ > OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-devel > ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
