From 35388d5f062e5b13db6d10492beba6cde08ab28c Mon Sep 17 00:00:00 2001 From: Ezra Peisach Date: Tue, 20 Aug 2024 21:35:51 -0400 Subject: [PATCH] added table id --- wwpdb/apps/ann_tasks_v2/__init__.py | 2 +- wwpdb/apps/ann_tasks_v2/utils/GetCovalentBond.py | 13 +++++++------ 2 files changed, 8 insertions(+), 7 deletions(-) diff --git a/wwpdb/apps/ann_tasks_v2/__init__.py b/wwpdb/apps/ann_tasks_v2/__init__.py index ccabc82..7972448 100644 --- a/wwpdb/apps/ann_tasks_v2/__init__.py +++ b/wwpdb/apps/ann_tasks_v2/__init__.py @@ -2,4 +2,4 @@ __author__ = "Ezra Peisach" __email__ = "ezra.peisach@rcsb.org" __license__ = "Apache 2.0" -__version__ = "0.38" +__version__ = "0.39" diff --git a/wwpdb/apps/ann_tasks_v2/utils/GetCovalentBond.py b/wwpdb/apps/ann_tasks_v2/utils/GetCovalentBond.py index 43a76a7..62853e0 100644 --- a/wwpdb/apps/ann_tasks_v2/utils/GetCovalentBond.py +++ b/wwpdb/apps/ann_tasks_v2/utils/GetCovalentBond.py @@ -95,6 +95,7 @@ def __processCloseContactContent(self, jsonObj):
+ @@ -125,21 +126,21 @@ def __processCloseContactContent(self, jsonObj): if tupL[5]: atom += "(" + tupL[5] + ")" # - tablerow += "" + "" + "" + "" + "" + tablerow += "" atom = tupL[11] if tupL[12]: atom += "(" + tupL[12] + ")" # - tablerow += "" + "" + "" + "" + "" + "" + tablerow += "" # tupL[6] = tupL[6].replace("_", "-") tupL[13] = tupL[13].replace("_", "-") bond_id = "covalent_bond_" + str(count) # - tablerow += "' + tablerow += "' # tablerow += "\n" count += 1
Id Atom1 Atom2 Leaving
atoms
" + tupL[0] + "" + tupL[1] + "" + tupL[2] + tupL[3] + "" + atom + "" + tupL[6] + "" + tupL[16] + "" + tupL[0] + "" + tupL[1] + "" + tupL[2] + tupL[3] + "" \ + + atom + "" + tupL[6] + "" + tupL[7] + "" + tupL[8] \ - + "" + tupL[9] + tupL[10] + "" \ - + atom + "" + tupL[13] + "" \ - + tupL[14] + "" + tupL[7] + "" + tupL[8] + "" + tupL[9] + tupL[10] + "" + atom + "" \ + + tupL[13] + "" + tupL[14] + "" + tupL[15] + '        " + tupL[15] + '