Skip to content

krb0073/analysis

Repository files navigation

All of the codes here are the codes that I have used for analysis of the systems in the past

Unwrap

Code for using the program loos to unwrap a tarjecotry and find the Mean Squared diffusion

Missing_loop_tool

Take any given pdb code and uses modeller to add in the missing parts into it. It at the time only works with monomers

slow Eq

A python code set that runs a very slow process of min heating and Eq as done by Dr. Joe Baker

regression

the Lmax linear regression code that i have done. Needs to to be looked at in more detail but it is made such that any MD data can be used with. The main aim however is to use the retinal of Bacteria rhodopsin to calacute the spectral peak sensatviaty

gather_data_regression

all the code that I use to gather the linear regression stuff.

Ret_codes

All the codes i can find to attach the retainal and make the mutations of BR

Solvent box

Takes a singel pdb of a molecule and makes a box of that molelcue. From there a quick NTV run and a longer NTP run can be done to get a well equalibrated box

Time series

A code that gives statical information base on time series data.

binning

codes for making histgrams of 1d and 2D from time series data.

retinal_area

A short code to look the ring postion of the retinal and the angel from the the normal

About

main repository

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published