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pymol-plugins-msms-100415.py | 18 ++++++++++--------
1 files changed, 10 insertions(+), 8 deletions(-)
diff --git a/pymol-plugins-msms-100415.py b/pymol-plugins-msms-100415.py
index 725934d..7ea00bf 100644
--- a/pymol-plugins-msms-100415.py
+++ b/pymol-plugins-msms-100415.py
@@ -99,15 +99,17 @@ class MSMSPlugin:
self.cleanup_saved_pymol_sel.set(True) # by default, clean up
self.pdb_fn.set('')
- if 'MSMS_BIN' in os.environ:
- if VERBOSE: print 'Found MSMS_BIN in environmental variables', os.environ['MSMS_BIN']
- self.msms_bin.set(os.environ['MSMS_BIN'])
- else:
- if VERBOSE: print 'MSMS_BIN not found in environmental variables.'
- self.msms_bin.set('')
+ self.msms_bin.set('GENTOOMSMS')
+## if 'MSMS_BIN' in os.environ:
+## if VERBOSE: print 'Found MSMS_BIN in environmental variables', os.environ['MSMS_BIN']
+## self.msms_bin.set(os.environ['MSMS_BIN'])
+## else:
+## if VERBOSE: print 'MSMS_BIN not found in environmental variables.'
+## self.msms_bin.set('')
## self.pdb2xyzr_bin.set('')
- if 'PDB2XYZRN' in os.environ: self.pdb2xyzrn_bin.set(os.environ['PDB2XYZRN'])
- else: self.pdb2xyzrn_bin.set('')
+ self.pdb2xyzrn_bin.set('GENTOOXYZRN')
+## if 'PDB2XYZRN' in os.environ: self.pdb2xyzrn_bin.set(os.environ['PDB2XYZRN'])
+## else: self.pdb2xyzrn_bin.set('')
self.tmp_dir.set('/tmp')
self.cleanup_msms_output = Tkinter.BooleanVar()
self.cleanup_msms_output.set(True) # by default, clean up msms output
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