Queries regarding GSOC projects

[nataliyah123]

I am interested in two of the projects 1. extend interoperability and 2. 2D representation for rdkit

1. Can I apply to both of these projects in a separate form or in a single form.
2. I am interested in pytraj interoperability especially in from md.universe to randomize_ion and is_solvent. so my question is, these are not analysis but the preliminary steps to analysis. is it ok to go ahead with it or you guys are looking for analysis only.
3. pt.Trajectory(in-memory) and universe.trajectory have different functionality like multiframe and single frame or timestep. should this also be considered or not.

[jennaswa]

Hi @nataliyah123 - We do not recommend taking on more than one project (see the GSoC with MDAnalysis FAQ for details). I would suggest you focus on the project you are most interested in, but if you envision overlap between the 2 projects and think it is feasible to achieve during the summer, please feel free to outline your objectives in detail in your pre-proposal.

I will let the interoperability mentors (@hmacdope , @yuxuanzhuang , @xhgchen ) respond to your other questions.

[hmacdope]

Hi @nataliyah123

1. You should apply to only one project.
2. If properly considering how to do pytraj interoperability, it should be easy to use any pytraj method, you should have a thing about the best way to achieve this.
3. Yes this sounds like something you should consider in your project!

[orbeckst]

@nataliyah123 if one of the replies answered the question then please mark it as "answer" — that makes the discussion very useful for others as well. But if you still have questions, please ask!