diff options
| author | Navan Chauhan <navanchauhan@gmail.com> | 2020-07-06 13:03:43 +0530 |
|---|---|---|
| committer | Navan Chauhan <navanchauhan@gmail.com> | 2020-07-06 13:03:43 +0530 |
| commit | 6e45140c59253fb2f286bfd73f763c18e7ef104b (patch) | |
| tree | 008c7ac0d66e4ce15f54121d08d3e98c4a8d5f77 /scripts/main.sh | |
| parent | d779d69e8db98c3d53fcc1bffa9f7f326339259c (diff) | |
added docking score feeature to main.sh and report generation
Diffstat (limited to 'scripts/main.sh')
| -rwxr-xr-x | scripts/main.sh | 3 |
1 files changed, 2 insertions, 1 deletions
diff --git a/scripts/main.sh b/scripts/main.sh index 90d128b..68397fb 100755 --- a/scripts/main.sh +++ b/scripts/main.sh @@ -145,7 +145,8 @@ fi if [[ $interactions == "true" ]]; then python3 /src/scripts/get-best.py -p $proteinPath -l "$(echo $file)_out.pdbqt" python3 /src/plip/plipcmd.py -f best.pdb -qpxy - python3 /src/scripts/makeReport.py --input . > report.md + python3 /src/scripts/get_dock_score.py -l "$(echo $file)_out.pdbqt" -p $proteinPath > report.md + python3 /src/scripts/makeReport.py --input . >> report.md pandoc -V geometry:margin=1in report.md --pdf-engine=xelatex -o $name.pdf fi |