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| author | Navan Chauhan <navanchauhan@gmail.com> | 2020-09-11 18:50:18 +0530 |
|---|---|---|
| committer | Navan Chauhan <navanchauhan@gmail.com> | 2020-09-11 18:50:18 +0530 |
| commit | ac6824a9e7728669a9e4f89cff340e1077fc233a (patch) | |
| tree | 22be5494df980c4d222a5d7a92c9a7b2e8e8e416 | |
| parent | 9de8cfbf0e6c169f1819461e9816aa00ad31280e (diff) | |
fixed natural ligand interactions in report
| -rw-r--r-- | scripts/makeReport.py | 4 |
1 files changed, 2 insertions, 2 deletions
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 ( |