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| author | Navan Chauhan <navanchauhan@gmail.com> | 2020-07-03 22:05:04 +0530 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2020-07-03 22:05:04 +0530 |
| commit | 5ea3aa81360543c7f2302415a019d135cfb1b9c9 (patch) | |
| tree | f3efd249acfa988876ab5827acb3fcf5e10101a3 /scripts/main_local.sh | |
| parent | 48943734fa9db08f0be27c7156a965e3bcbe217c (diff) | |
Update main_local.sh
Diffstat (limited to 'scripts/main_local.sh')
| -rw-r--r-- | scripts/main_local.sh | 8 |
1 files changed, 4 insertions, 4 deletions
diff --git a/scripts/main_local.sh b/scripts/main_local.sh index bcbcf92..56cf73a 100644 --- a/scripts/main_local.sh +++ b/scripts/main_local.sh @@ -139,13 +139,13 @@ fi if [[ $visualisations == "true" ]]; then file=$(echo "$ligandPath" | cut -f 1 -d '.') - ./quick-ligand-protein.py -p $proteinPath -l "$(echo $file)_out.pdbqt" + quick-ligand-protein.py -p $proteinPath -l "$(echo $file)_out.pdbqt" fi if [[ $interactions == "true" ]]; then - ./get-best.py -p $proteinPath -l "$(echo $file)_out.pdbqt" - ./plipcmd.py -f best.pdb -qpxy - ./makeReport.py --input . > report.md + get-best.py -p $proteinPath -l "$(echo $file)_out.pdbqt" + plip -f best.pdb -qpxy + makeReport.py --input . > report.md pandoc -V geometry:margin=1in report.md --pdf-engine=xelatex -o $name.pdf fi |