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