Re: [OpenBabel-Devel] GSoC project introduction - Fast, Efficient Fragment-Based Coordinate Generation

2018-04-25 Thread Stefano Forli
Hi Naruki, that's a pretty interesting project, and very interesting for those using OpenBabel in their projects. I don't have much experience on inorganic and organometallic molecules, but for organic molecules I'll be happy to provide examples that are of particular relevance to biology and

Re: [OpenBabel-Devel] GSoC project introduction - Fast, Efficient Fragment-Based Coordinate Generation

2018-04-25 Thread Noel O'Boyle
Hi Naruki, Welcome to the list. I wish you all the best - this would be a great improvement to Open Babel. Regards, - Noel On 25 April 2018 at 12:18, Naruki Yoshikawa wrote: > Hi everyone, > > I am going to work on the project "Fast, Efficient Fragment-Based >

[OpenBabel-Devel] GSoC project introduction - Fast, Efficient Fragment-Based Coordinate Generation

2018-04-25 Thread Naruki Yoshikawa
Hi everyone, I am going to work on the project "Fast, Efficient Fragment-Based Coordinate Generation" https://summerofcode.withgoogle.com/projects/#5029822145757184 during Google Summer of Code 2018. The goal of this project is to implement a fast and efficient method to predict 3-D coordinates.