Domchop-util

This repository includes the ongoing efforts in production of useful codes to facilitate the manual curation of domain chopping. Check our wiki page if you never heard of DomChop.

(UPDATE: 2017-08-04) The doped_CATH will be migrating to a separate repo called django_CATH, to allow for easier management and greater portability.

(UPDATED!!! 2017-07-14) If you are a Domchop curator. Please find the amazing_entries page on wiki tab. Please also document interesting structures into pdbs/ .

• Make sure you are on nDOPE branch before you test anything. (Obsolete,nDOPE already merged into master)

git fetch nDOPE
git checkout nDOPE

Pre-requisite and configuration

for Doped_CATH

You should have modeller installed and configured as a pre-requisite.

You should have modeller/bin on your $PATH variable. To set this temporarily, run

export PATH="$PATH:/path-to-modeller/bin/"
source modpy.sh

For example, if you installed Modeller to "/home/linux/modeller", then run:

export PATH="$PATH:/home/linux/modeller/bin/"
source modpy.sh

You can add these two commands into ~/.bashrc, so that it is automatically set next time you start a new bash shell.

Alternatively, you can simply issue a condensed one-liner.

source /home/linux/modeller/bin/modpy.sh 

Tests

Please test the Modeller installation with:

chmod +x tests/verify_modeller.sh
tests/verify_modeller.sh

Please run tests with

chmod +x run_tests.sh # To make the script executable
./run_tests.sh ## To run the tests

It should take ~10s to run all the tests.