diff options
| author | V3n3RiX <venerix@redcorelinux.org> | 2017-10-09 18:53:29 +0100 |
|---|---|---|
| committer | V3n3RiX <venerix@redcorelinux.org> | 2017-10-09 18:53:29 +0100 |
| commit | 4f2d7949f03e1c198bc888f2d05f421d35c57e21 (patch) | |
| tree | ba5f07bf3f9d22d82e54a462313f5d244036c768 /sci-chemistry/pymol-plugins-msms/files/100415-msms.patch | |
reinit the tree, so we can have metadata
Diffstat (limited to 'sci-chemistry/pymol-plugins-msms/files/100415-msms.patch')
| -rw-r--r-- | sci-chemistry/pymol-plugins-msms/files/100415-msms.patch | 33 |
1 files changed, 33 insertions, 0 deletions
diff --git a/sci-chemistry/pymol-plugins-msms/files/100415-msms.patch b/sci-chemistry/pymol-plugins-msms/files/100415-msms.patch new file mode 100644 index 000000000000..0d26fb31c5f1 --- /dev/null +++ b/sci-chemistry/pymol-plugins-msms/files/100415-msms.patch @@ -0,0 +1,33 @@ + 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 |