tanu/LSHTM_analysis
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Tanushree Tunstall b2284f7216 added base histogram script for af and or
2020-10-13 13:38:17 +01:00
foldx fixed white space prob with mcsm input with merge 2020-07-14 14:07:23 +01:00
mcsm fixed white space prob with mcsm input with merge 2020-07-14 14:07:23 +01:00
scripts added base histogram script for af and or 2020-10-13 13:38:17 +01:00
.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.