diff options
Diffstat (limited to 'sci-chemistry/pdb2pqr/files/pdb2pka')
-rw-r--r-- | sci-chemistry/pdb2pqr/files/pdb2pka | 13 |
1 files changed, 13 insertions, 0 deletions
diff --git a/sci-chemistry/pdb2pqr/files/pdb2pka b/sci-chemistry/pdb2pqr/files/pdb2pka new file mode 100644 index 000000000000..2406b0c4773f --- /dev/null +++ b/sci-chemistry/pdb2pqr/files/pdb2pka @@ -0,0 +1,13 @@ +#!/usr/bin/env python + +import subprocess +import site +import sys +import os + +sitepackages = site.getsitepackages()[0] + +_cmd=[os.path.join(sitepackages, "pdb2pqr", "pdb2pka", "pka.py")] +_cmd.extend(sys.argv[1:]) + +subprocess.call(_cmd, stdout=sys.stdout, stderr=sys.stderr) |