From ac6824a9e7728669a9e4f89cff340e1077fc233a Mon Sep 17 00:00:00 2001
From: Navan Chauhan <navanchauhan@gmail.com>
Date: Fri, 11 Sep 2020 18:50:18 +0530
Subject: fixed natural ligand interactions in report
---
scripts/makeReport.py | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
(limited to 'scripts')
diff --git a/scripts/makeReport.py b/scripts/makeReport.py
index 535da9b..4f693ac 100644
--- a/scripts/makeReport.py
+++ b/scripts/makeReport.py
@@ -66,7 +66,7 @@ if natural_ligands == []:
showNaturalLigands == False
for ligand in natural_ligands:
- print("### Natural Ligand " + str(x), end="\n\n")
+ print("### Natural Ligand " + str(ligand+1), end="\n\n")
if doc.report.bindingsite[ligand].interactions.hydrophobic_interactions.cdata == "":
print("No Hydrophobic Interactions Found", end="\n\n")
else:
@@ -126,7 +126,7 @@ for ligand in natural_ligands:
# print(i, x.resnr.cdata, x.restype.cdata, x.dist_h_a.cdata, x.dist_d_a.cdata, x.don_angle.cdata, x.protisdon.cdata, x.sidechain.cdata, (x.donoridx.cdata + "[" + x.donortype.cdata + "]"), (x.acceptoridx.cdata + "[" + x.acceptortype.cdata + "]"))
print(tabulate(tableBody, headers=tableHeaders), end="\n\n")
-print("## Ligand Interactions", end="\n\n")
+print("## Docked Ligand Interactions", end="\n\n")
try:
if (
--
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