Update README.md

Update Readme

README.md

@@ -1,7 +1,8 @@
 # About #
 
-FastPCA is a PCA-calculator programmed in C++(11).
-Computation is parallelized with OpenMP.
+*FastPCA* is a PCA-calculator programmed in C++11 parallelized with OpenMP.
+
+The *FastPCA* package is an implementation of the principal component analysis of large MD data sets, using either Cartesian atom coordinates, interatom distances or backbone dihedral angles as input coordinates. In particular, it features the dihedral angle PCA on a torus (dPCA+) by Sittel et al., 2017, which performs maximal gap shifting to treat periodic data correctly. It is optimized and parallelized with constant memory consumption for large data sets.
 
 For fast matrix diagonalization, LAPACK is used (and needed, of course).
 
@@ -28,17 +29,23 @@ If you use the code for published works, please cite as
 
 Create a build-directory in the project root and change into
 that directory:
-   # mkdir build
-   # cd build
+```
+    # mkdir build
+    # cd build
+```
 Run cmake, based on the underlying project:
-   # cmake ..
+```
+    # cmake ..
+```
 Hopefully, everything went right.
 If not, carefully read the error messages.
 Typical errors are missing dependencies...
 
 If everything is o.k., run make (on multicore machines, use '-j' to parallelize
 compilation, e.g. 'make -j 4' for up to four parallel jobs):
-   # make
+```
+    # make
+```
 Now, you should find the 'fastca' binary in the 'src' folder.
 
 ## Requirements ##