Skip to content

Commit 3f1818a

Browse files
authored
Updated README
1 parent d13c747 commit 3f1818a

File tree

1 file changed

+8
-4
lines changed

1 file changed

+8
-4
lines changed

README.md

+8-4
Original file line numberDiff line numberDiff line change
@@ -7,7 +7,9 @@ This model simulates the folding of a randomly generated protein, given certain
77
## Getting Started
88

99
Clone the repository:
10-
```git clone https://github.com/JosephPB/Protein```
10+
```
11+
git clone https://github.com/JosephPB/Protein
12+
```
1113

1214
The files are divided into directories depending on your requirements. The ```2D``` directory contains a verion of the programme which runs on an infinite 2D lattice, and equivalently for the ```3D``` directory. If you have access to a bbatch system the ```batch``` directory is set up to run such a programme with modifications. On a batch system change the ```batch.sh``` shell file and the destination of the write file ```/mt/batch/...``` to your appropriate values.
1315

@@ -38,7 +40,9 @@ Preset input files, to avoid manual input of the above parameters, can be stored
3840
### Plotting
3941

4042
The ```plotting``` directory contains plotting code. ```plotsingle.py``` takes input from one ```.csv``` file at the command line:
41-
```plotsingle.py <filename.csv>```
43+
```
44+
plotsingle.py <filename.csv>
45+
```
4246
and plots energy vs. Monte Carlo time and lenth vs. Monte Carlo time.
4347

4448
Similarly ```plotavg.py``` takes multiple file inputs, of the same monomer lenth and different temperature at the command line (see ```jobs.sh``` in ```3D``` for an example) and plots average energy vs. temperature and average length vs. temperature.
@@ -49,9 +53,9 @@ We use [SemVer](http://semver.org/) for versioning.
4953

5054
## Future Work
5155

52-
We hope to add a visual element to the process, allowing for snapshots of the protein folding process to be taken and visually realised, potentially by linking up with other established protein visualisation software. Additionally, research into domain folding may lead to increased computation speed (e.g. adapting from [Abkevich, Gutin and Shakhnovich, (1995)](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2143143/) to a more generalised model).
56+
We hope to add a visual element to the process, allowing for snapshots of the protein folding process to be taken and visually realised, potentially by linking up with other established protein visualisation software. Additionally, research into domain folding may lead to increased computation speed (e.g. adapting from [Abkevich, Gutin and Shakhnovich (1995)](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2143143/) to a more generalised model).
5357

54-
In a later version, we hope to be able to reproduce and improve upon the work of others in this field such as [Sali, Shakhnovich and Karplus, (1994)](https://www.nature.com/articles/369248a0).
58+
In a later version, we hope to be able to reproduce and improve upon the work of others in this field such as [Sali, Shakhnovich and Karplus (1994)](https://www.nature.com/articles/369248a0).
5559

5660

5761

0 commit comments

Comments
 (0)