From 3425d8fa2b6f55747af45535fd3f854d5b91d344 Mon Sep 17 00:00:00 2001 From: Tanushree Tunstall Date: Tue, 12 May 2020 14:08:08 +0100 Subject: [PATCH] added pdbtools from github source and modified seq.py to exclude hetatm seq extraction --- scripts/pdbtools | 1 + scripts/pdbtools_commands | 7 +++++-- 2 files changed, 6 insertions(+), 2 deletions(-) create mode 160000 scripts/pdbtools diff --git a/scripts/pdbtools b/scripts/pdbtools new file mode 160000 index 0000000..9d347c6 --- /dev/null +++ b/scripts/pdbtools @@ -0,0 +1 @@ +Subproject commit 9d347c663a60529eda06c03e816423d546dc4104 diff --git a/scripts/pdbtools_commands b/scripts/pdbtools_commands index d4986f7..ff1b274 100644 --- a/scripts/pdbtools_commands +++ b/scripts/pdbtools_commands @@ -1,9 +1,12 @@ -# renumber +#====================================================== +# renumber pdb file based on user defined start number +#====================================================== home/tanu/git/LSHTM_analysis/scripts/pdbtools/scripts/pdb_residue_renumber /home/tanu/git/Data/cycloserine/input/alr_complex_model.pdb -s 35 -r /home/tanu/git/LSHTM_analysis/scripts/pdbtools/scripts/pdb_residue_renumber /home/tanu/git/Data/rifampicin/input/rpob_complex_model.pdb -s 29 -r - +#====================================================== # extract seq from structure +#====================================================== /home/tanu/git/LSHTM_analysis/scripts/pdbtools/scripts/pdb_seq -a /home/tanu/git/Data/ethambutol/input/3byw.pdb > 3byw_seq.txt