Hi,
I noticed that the mutagenesis wizard uses PYMOL_PATH/data to locate the
chempy sidechains, however, PYMOL_DATA would be more appropriate if the
data is not installed alongside the pymol modules.
The attached patch fixes this.
Michael
--- ./modules/pymol/wizard/mutagenesis.py.orig 2014-01-20 17:13:54.041469301 +0100
+++ ./modules/pymol/wizard/mutagenesis.py 2014-01-20 17:21:25.203791774 +0100
@@ -52,8 +52,8 @@
self.dep = default_dep
- self.ind_library = io.pkl.fromFile(os.environ['PYMOL_PATH']+
- "/data/chempy/sidechains/sc_bb_ind.pkl")
+ self.ind_library = io.pkl.fromFile(os.environ['PYMOL_DATA']+
+ "/chempy/sidechains/sc_bb_ind.pkl")
self.load_library()
self.status = 0 # 0 no selection, 1 mutagenizing
self.bump_check = 1
@@ -217,8 +217,8 @@
def load_library(self):
if self.dep == 'dep':
if not hasattr(self,'dep_library'):
- self.dep_library = io.pkl.fromFile(os.environ['PYMOL_PATH']+
- "/data/chempy/sidechains/sc_bb_dep.pkl")
+ self.dep_library = io.pkl.fromFile(os.environ['PYMOL_DATA']+
+ "/chempy/sidechains/sc_bb_dep.pkl")
def set_mode(self,mode):
cmd=self.cmd
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