Difference between revisions of "Analysis Tools Repository"
From Rizzo_Lab
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See below for the intended list of things to be added (LastAdded: 01/07/2020 JDB) | See below for the intended list of things to be added (LastAdded: 01/07/2020 JDB) | ||
* How to update this repository | * How to update this repository | ||
| − | * RMSD - MD (from DOCK pose vs from first frame) | + | * RMSD - MD (from DOCK pose vs from first frame) Execution and analysis |
* MMGBSA - execution and analysis | * MMGBSA - execution and analysis | ||
* Footprinting with amber | * Footprinting with amber | ||
Revision as of 10:28, 7 January 2020
This is intended to be the one-stop-shop for analysis tools and scripts for the lab.
See below for the intended list of things to be added (LastAdded: 01/07/2020 JDB)
- How to update this repository
- RMSD - MD (from DOCK pose vs from first frame) Execution and analysis
- MMGBSA - execution and analysis
- Footprinting with amber
- Multifootprint with dock
- ACF - BASEM
- Making 2D structures (JMOL, MarvinSketch)
- Sequence alignments
- Test set statistics
- VS Protocol (small description, + GH link)
- MOE inputs, descriptions, files, scripts?
