Features for UROPs to develop

[connie]

Dear all RMG users, please let us know what features you would like in the website for it to become a GUI-like interface for RMG. We would like to prioritize features based on what's most useful for the users and assign the 2 UROPs to work on them this summer.

Currently what I'm planning to implement on the website:

• Thermo query to RMG-Java so we can see thermo results from both Py and Java (much like kinetics)
• Old to new adjacency list conversion module for both database files and txt files. Maybe even a simple direct form.
• Refresh script for reloading Java server so that it stops timing out

What Pierre is working on:

• Getting RMG-Py input file GUI form working

[shamelmerchant]

My wishlist based on numerous people who have contacted me and industrial people who have started using RMG

1) A applet to draw molecules when the resolver fails, this will be also useful once the new adj list gets implemented

2) Search transport properties (just like thermochemistry)

3) Search solvent parameters (just like thermochemistry, I know Amrit made something for ENi folks at some point)

4) Input file even for Java (Maybe will become redundant, but still useful)

5) A tool to give rates for CHEB / TROE other Pdep forms at user desired pressure and temperatures (something like the NASA tool) makes thing more transparent.

6) Input for CANTHERM (external people might find this useful)

[enochd]

This should be a quick fix: address #62 and make it so that RMG plots rates over reasonable scales

[connie]

Update: certain features have now been added, namely:

• Adjlist conversion tool between old and new
• Transport search
• Solvation search

So I am moving this list of features to a new issue https://github.com/GreenGroup/RMG-website/issues/81