From 8e68fb8f6afb256998d23a9c0c568eb18139ff45 Mon Sep 17 00:00:00 2001 From: Tanushree Tunstall Date: Thu, 18 Feb 2021 11:50:46 +0000 Subject: [PATCH] add files --- .gitignore | 2 ++ dynamut/dynamut_results/dynamut_output_multiple.csv | 7 +++++++ dynamut/snp_test1.csv | 2 ++ dynamut/snp_test2.csv | 2 ++ 4 files changed, 13 insertions(+) create mode 100644 dynamut/dynamut_results/dynamut_output_multiple.csv create mode 100644 dynamut/snp_test1.csv create mode 100644 dynamut/snp_test2.csv diff --git a/.gitignore b/.gitignore index 7bab207..2a7cd01 100644 --- a/.gitignore +++ b/.gitignore @@ -1,10 +1,12 @@ *.xls *.xlsx *.ods +*.tar.gz .Rhistory *.pyc __pycache__ */__pycache__ +manual_* mcsm_analysis_fixme meta_data_analysis del diff --git a/dynamut/dynamut_results/dynamut_output_multiple.csv b/dynamut/dynamut_results/dynamut_output_multiple.csv new file mode 100644 index 0000000..fef0be4 --- /dev/null +++ b/dynamut/dynamut_results/dynamut_output_multiple.csv @@ -0,0 +1,7 @@ +mutationinformation,ddg_dynamut,ddg_encom,ddg_mcsm,ddg_sdm,ddg_duet,dds_encom +G13V,0.006 kcal/mol (Stabilizing),-0.053 kcal/mol (Destabilizing),-0.261 kcal/mol (Destabilizing),-0.120 kcal/mol (Destabilizing),0.120 kcal/mol (Stabilizing),0.066 kcal.mol-1.K-1 (Increase of molecule flexibility) +A19T,-0.077 kcal/mol (Destabilizing),0.224 kcal/mol (Destabilizing),-0.631 kcal/mol (Destabilizing),-2.620 kcal/mol (Destabilizing),-0.758 kcal/mol (Destabilizing),-0.280 kcal.mol-1.K-1 (Decrease of molecule flexibility) +I4N,-0.239 kcal/mol (Destabilizing),-0.720 kcal/mol (Destabilizing),-0.728 kcal/mol (Destabilizing),-0.550 kcal/mol (Destabilizing),-0.461 kcal/mol (Destabilizing),0.900 kcal.mol-1.K-1 (Increase of molecule flexibility) +P3S,0.727 kcal/mol (Stabilizing),0.334 kcal/mol (Destabilizing),-0.672 kcal/mol (Destabilizing),0.010 kcal/mol (Stabilizing),-0.252 kcal/mol (Destabilizing),-0.418 kcal.mol-1.K-1 (Decrease of molecule flexibility) +F12S,-0.270 kcal/mol (Destabilizing),0.048 kcal/mol (Destabilizing),-1.028 kcal/mol (Destabilizing),-0.930 kcal/mol (Destabilizing),-0.993 kcal/mol (Destabilizing),-0.060 kcal.mol-1.K-1 (Decrease of molecule flexibility) +A19V,2.389 kcal/mol (Stabilizing),0.450 kcal/mol (Destabilizing),0.659 kcal/mol (Stabilizing),-0.170 kcal/mol (Destabilizing),1.040 kcal/mol (Stabilizing),-0.562 kcal.mol-1.K-1 (Decrease of molecule flexibility) diff --git a/dynamut/snp_test1.csv b/dynamut/snp_test1.csv new file mode 100644 index 0000000..9e179c2 --- /dev/null +++ b/dynamut/snp_test1.csv @@ -0,0 +1,2 @@ +F12S +A19V diff --git a/dynamut/snp_test2.csv b/dynamut/snp_test2.csv new file mode 100644 index 0000000..e72171c --- /dev/null +++ b/dynamut/snp_test2.csv @@ -0,0 +1,2 @@ +G13V +A19T