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Tanushree Tunstall ab7bed9f4b added test2/ for testing updated foldx script
2021-02-10 10:16:28 +00:00
dynamut added script to submit jobs 2021-02-09 20:16:27 +00:00
foldx added test2/ for testing updated foldx script 2021-02-10 10:16:28 +00:00
mcsm adding options to specify files by user 2020-11-27 13:02:15 +00:00
scripts added test2/ for testing updated foldx script 2021-02-10 10:16:28 +00:00
.gitignore updated .gitignore 2020-10-06 09:55:19 +01:00
LICENCE added licence 2020-01-08 16:51:47 +00:00
mk_drug_dirs.sh refactoring code to make it take command line args 2020-04-06 19:03:41 +01:00
my_header.R added R header file to base dir to allow general access by R scripts 2020-03-28 17:56:39 +00:00
README.md Update README.md 2020-09-21 18:11:24 +01:00

README.md

mCSM

This contains scripts that does the following:

  1. mcsm.py: function for submitting mcsm job and extracting results
  2. run_mcsm.py: wrapper to call mcsm.py

foldx

This contains scripts that does the following:

  1. runFoldx.py: submitting foldx requests and extracting results
  2. runfoldx.sh: is wrapped by runFoldx.py

Requires an additional 'Data' directory. Batteries not included:-)

Assumptions

  1. git repos are cloned to ~/git
  2. Requires a data directory with an input and output subdirs. Can be specified on the CLI with --datadir, and optionally can be created with mk_drug_dirs.sh <DRUG_NAME>

LSHTM_analysis:

subdirs within this repo

 scripts
 	*.R
 	*.py
	plotting/
	*.R
 mcsm
	*.py
 foldx
 	*.py
	*.sh

More docs here as I write them.