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Diffstat (limited to 'sci-chemistry/pdb2pqr/files/pdb2pka')
-rw-r--r--sci-chemistry/pdb2pqr/files/pdb2pka13
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)