diff --git a/README.md b/README.md index 4195646..79a5c8b 100644 --- a/README.md +++ b/README.md @@ -42,3 +42,11 @@ step 2. submit slurm job
sbatch -N 1 -c 1 qvina_vs.sbatch
+
+# CONVERT pdbqt docking pose into sdf file
+usage:
+python pdbqt_pose_2_sdf.py -h
+
+example:
+python pdbqt_pose_2_sdf.py PV-000071980170.pdbqt PV-000071980170.sdf
+