27 lines
1.2 KiB
Text
27 lines
1.2 KiB
Text
./runFoldx_test2.py -g pncA --datadir /home/tanu/git/LSHTM_analysis/foldx/test2 -i /home/tanu/git/LSHTM_analysis/foldx/test2 -o /home/tanu/git/LSHTM_analysis/foldx/test2/test2_output -p /home/tanu/git/LSHTM_analysis/foldx/test2/test2_process -pdb 3pl1.pdb -m pnca_muts_sample.csv -c1 A
|
|
|
|
============
|
|
# Example 1: pnca
|
|
# Delete processing output, copy rotabase.txt and individual_list_3pl1.txt in place, run a test
|
|
============
|
|
#
|
|
clear; rm -rf test2_process/*; cp individual_list_3pl1.txt test2_process/ ; cp rotabase.txt test2_process/; ./runFoldx_test2.py -g pncA --datadir /home/tanu/git/LSHTM_analysis/foldx/test2 -i /home/tanu/git/LSHTM_analysis/foldx/test2 -o /home/tanu/git/LSHTM_analysis/foldx/test2/test2_output -p ./test2_process -pdb 3pl1.pdb -m /tmp/pnca_muts_sample.csv -c1 A
|
|
|
|
============
|
|
# Example 2: gidb
|
|
============
|
|
clear
|
|
rm Unrecognized_molecules.txt
|
|
rm -rf test2_process/*
|
|
cp rotabase.txt test2_process/
|
|
|
|
./runFoldx.py \
|
|
-g gid \
|
|
--datadir /home/tanu/git/LSHTM_analysis/foldx/test2 \
|
|
-i /home/tanu/git/LSHTM_analysis/foldx/test2 \
|
|
-o /home/tanu/git/LSHTM_analysis/foldx/test2/test2_output \
|
|
-p ./test2_process \
|
|
-pdb gid_test2.pdb \
|
|
-m gid_test_snps.csv \
|
|
-c1 A
|
|
|