Merge pull request #51 from Pranavkhade/50-rotation-code-fix-1

rotation fix 1
Pranavkhade · Aug 3, 2023 · f03dc55 · f03dc55
2 parents 875e1b0 + fcc71f6
commit f03dc55
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diff --git a/packman/__init__.py b/packman/__init__.py
@@ -15,4 +15,4 @@
 
 
 #VERSION CHANGE HERE CHANGES IT IN docs AND setup.py
-__version__='1.4.9'
+__version__='1.4.10'
diff --git a/packman/molecule/model.py b/packman/molecule/model.py
@@ -80,6 +80,7 @@ class Model():
     def __init__(self,id,AllAtoms,AllResidues,AllChains,AllHetAtoms,AllHetMols):                
         self.__id=id
         self.__AllAtoms=AllAtoms
+        self.__AllAtoms_inverse = { self.__AllAtoms[i]:i for i in self.__AllAtoms }
         self.__AllResidues=AllResidues
         self.__AllChains=AllChains
         self.__AllHetAtoms=AllHetAtoms
Original file line number	Diff line number	Diff line change
Expand Up		@@ -15,4 +15,4 @@


		#VERSION CHANGE HERE CHANGES IT IN docs AND setup.py
		__version__='1.4.9'
		__version__='1.4.10'