From fcc71f6a356e1d3b58b016759a0ba13146f38aa8 Mon Sep 17 00:00:00 2001 From: khadep1 Date: Thu, 3 Aug 2023 14:54:59 -0700 Subject: [PATCH] rotation fix 1 --- packman/__init__.py | 2 +- packman/molecule/model.py | 1 + 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/packman/__init__.py b/packman/__init__.py index d0cf62d..76fb1c5 100644 --- 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' \ No newline at end of file +__version__='1.4.10' \ No newline at end of file diff --git a/packman/molecule/model.py b/packman/molecule/model.py index 7d694cc..99222dc 100644 --- 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