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z3T50&E28}uf9H5GUtM=3%x=KwsF|jrkp{KY;Da#M;4`<^@btuF(@5!Ttt6e*XZ2Zq zR-e^p^;vyZpVepeS$$TY)o1lteO8~sdvj6}9 literal 0 HcmV?d00001 diff --git a/packman/molecule/atom.py b/packman/molecule/atom.py index 5adf9ec..c83be44 100644 --- a/packman/molecule/atom.py +++ b/packman/molecule/atom.py @@ -28,70 +28,60 @@ def __init__(self,id,AtomName,Coordinates,Occupancy,bfactor,Element,Charge,paren self.__Element=Element #Get Functions - @property def get_id(self): """ :returns: ID of an 'packman.molecule.atom.Atom' object """ return self.__id - @property def get_name(self): """ :returns: Name of an 'Atom' object """ return self.__AtomName - @property def get_alternatelocationindicator(self): """ :returns: Alternate Location Indicator """ return self.__AlternateLocationIndicator - @property def get_parent(self): """ :returns: Parent residue of an 'Atom' Object. (If available) """ return self.__parent - @property def get_location(self): """ :returns: Cartesian Coordinates of an 'Atom' """ return self.__Coordinates - @property def get_occupancy(self): """ :returns: Occupancy of an 'Atom' """ return self.__Occupancy - @property def get_bfactor(self): """ :returns: B-Factor value of an 'Atom' """ return self.__bfactor - @property def get_segmentidentifier(self): """ :returns: Segment Identifier of an 'Atom' """ return self.__SegmentIdentifier - @property def get_element(self): """ :returns: Element of an 'Atom' """ return self.__Element - @property def get_domain_id(self): """ :returns: Domain ID of the parent Residue diff --git a/py_packman.egg-info/PKG-INFO b/py_packman.egg-info/PKG-INFO index f3d3245..97cb4ac 100644 --- a/py_packman.egg-info/PKG-INFO +++ b/py_packman.egg-info/PKG-INFO @@ -1,6 +1,6 @@ Metadata-Version: 1.1 Name: py-packman -Version: 1.0.0 +Version: 1.1.0 Summary: A software package for molecular PACKing and Motion ANalysis (PACKMAN) Home-page: https://github.com/Pranavkhade/PACKMAN Author: Pranav Khade diff --git a/py_packman.egg-info/SOURCES.txt b/py_packman.egg-info/SOURCES.txt index 413de0e..41396dc 100644 --- a/py_packman.egg-info/SOURCES.txt +++ b/py_packman.egg-info/SOURCES.txt @@ -2,6 +2,8 @@ README.md setup.py packman/__init__.py packman/__main__.py +packman/anm/__init__.py +packman/anm/anm.py packman/apps/__init__.py packman/apps/predict_hinge.py packman/bin/PACKMAN.py diff --git a/py_packman.egg-info/requires.txt b/py_packman.egg-info/requires.txt index dfcfe2c..6b72da8 100644 --- a/py_packman.egg-info/requires.txt +++ b/py_packman.egg-info/requires.txt @@ -2,4 +2,4 @@ numpy scipy networkx mlxtend -sklearn +scikit-learn