julie-forman-kay-lab / IDPConformerGenerator

Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space
https://idpconformergenerator.readthedocs.io/
Apache License 2.0
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Add more VDW radii and efficiency improvements #244

Closed menoliu closed 9 months ago

menoliu commented 11 months ago

Added:

Improved:

Changed:

menoliu commented 10 months ago

@joaomcteixeira I've made some (a lot) of improvements to LDRS and some IDPConfGen functions. As promised we can do everything we did via scripts internally now with just a single command in the ldrs subclient. Just wondering if you could check out the documentation I've added and any other comments before I merge. I've also built the foundations for multi-chain processing here

Edit 1: I have also tested the supplemental scripts from LDRS paper with this branch and they are working