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