fahda-native-contacts

Native contact calculations for Folding@Home datasets

Download

The scripts can be downloaded from here.

You can also use the git clone command.

git clone https://github.com/sorinlab/fahda-native-contacts
cd fahda-native-contacts
git submodule init
git submodule update

Prerequisites

Use cpan or cpanm as root to install the following CPAN packages before running the scripts.

sudo cpan <package>

# or

sudo cpanm <package> #recommended

• Sort::Natural::Key

All Atom-to-atom Contact Calculations

Calculate all atom-to-atom contacts given a maximum atomic distance (in Angstrom) and residue separation. Output: a concetenated .con file.

See all-contacts/README.md for details on how to run the scripts.

Native Contact Calculations

TODO: More info here (more details)

Native Contact Normalization

TODO: More info here (Percent Native Contact)