|
AA
////////////////////////////////////////////////////////////////////////...
|
|
APolarHydrogenFilter
The filter responsible for all apolar hydrogens.
|
|
APolarHydrogenFilterAP
|
|
APolarHydrogenFilterCAP
|
|
AcceptorAtomFilter
/////////////////////////////////////////////////////////////
////////////////////////////////////////////////////////////
The filter responsible for obtaining all acceptor atoms.
|
|
AcceptorAtomFilterAP
|
|
AcceptorAtomFilterCAP
|
|
AddAtom
core/chemical/PatchOperation.hh:305
|
|
AddAtomAP
|
|
AddAtomAlias
////////////////////////////////////////////////////////////////////////////
A patch operation for adding an atom alias to a ResidueType.
|
|
AddAtomAliasAP
|
|
AddAtomAliasCAP
|
|
AddAtomCAP
|
|
AddBond
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
add a bond to ResidueType
|
|
AddBondAP
|
|
AddBondCAP
|
|
AddBondType
////////////////////////////////////////////////////////////////////////////
A patch operation for adding a specific type of bond to a
ResidueType.
|
|
AddBondTypeAP
|
|
AddBondTypeCAP
|
|
AddChi
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
Add a chi angle to ResidueType.
|
|
AddChiAP
|
|
AddChiCAP
|
|
AddChiRotamer
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
Add a rotamer sample to a chi angle of the ResidueType.
|
|
AddChiRotamerAP
|
|
AddChiRotamerCAP
|
|
AddConnect
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
|
|
AddConnectAP
|
|
AddConnectCAP
|
|
AddProperty
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
add a property to ResidueType
|
|
AddPropertyAP
|
|
AddPropertyCAP
|
|
AddProtonChi
core/chemical/PatchOperation.hh:197
|
|
AddProtonChiAP
|
|
AddProtonChiCAP
|
|
Adduct
Description of optional single-atom residue adducts
|
|
AdductAP
|
|
AdductCAP
|
|
AppendInterchangeabilityGroup_String
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
Append a string to the existing interchangeability_group string for
a ResidueType
|
|
AppendInterchangeabilityGroup_StringAP
|
|
AppendInterchangeabilityGroup_StringCAP
|
|
AppendMainchainAtom
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
add a mainchain atom after the last mainchain atom
|
|
AppendMainchainAtomAP
|
|
AppendMainchainAtomCAP
|
|
AromaticAtomFilter
/////////////////////////////////////////////////////////////
////////////////////////////////////////////////////////////
The filter responsible for all aromatic atoms.
|
|
AromaticAtomFilterAP
|
|
AromaticAtomFilterCAP
|
|
Atom
This class contains the "chemical" information for atoms.
|
|
AtomAP
|
|
AtomCAP
|
|
AtomICoor
A basic class containing info of internal coordinates needed for
building an atom within a ResidueType
|
|
AtomICoorAP
|
|
AtomICoorCAP
|
|
AtomType
basic atom type name, element, certain properties and parameters
|
|
AtomTypeAP
|
|
AtomTypeCAP
|
|
AtomTypeDatabaseIO
core/chemical/AtomTypeDatabaseIO.hh:29
|
|
AtomTypeDatabaseIOAP
|
|
AtomTypeDatabaseIOCAP
|
|
AtomTypeSet
a set of AtomTypes a vector of pointers each of which points to an
AtomType and the vector index is looked up by an atom_name string
in a map
|
|
AtomTypeSetAP
|
|
AtomTypeSetCAP
|
|
AutomorphismIterator
Enumerates the automorphisms of a residue, which are basically
chemical symmetries that affect RMSD calculations.
|
|
AutomorphismIteratorAP
|
|
AutomorphismIteratorCAP
|
|
Bond
basic chemical Bond name, element, certain properties and
parameters from .params file
|
|
BondAP
|
|
BondAromaticity
Proper aromaticity implies participation in a 4n+2 electron ring
system.
|
|
BondCAP
|
|
BondConjugability
As with the BCL, bond conjugability is more about the atom types on
either end of the bond than about the bond itself.
|
|
BondIsometry
core/chemical/Bond.fwd.hh:74
|
|
BondName
core/chemical/Bond.fwd.hh:23
|
|
BondOrder
core/chemical/Bond.fwd.hh:33
|
|
BondRingness
core/chemical/Bond.fwd.hh:57
|
|
CPParameter
Enumerators for the three Cremer-Pople "ring-puckering"
parameters used to describe 4-, 5-, and 6-membered ring conformers
|
|
ChemicalManager
a class managing different sets of atom_type_set and
residue_type_set make it as a singleton class so that atom_type_set
and residue_type_set are only input and initialized once.
|
|
ChemicalManagerAP
|
|
ChemicalManagerCAP
|
|
DeleteAtom
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
delete an atom
|
|
DeleteAtomAP
|
|
DeleteAtomCAP
|
|
DeleteMetalbindingAtom
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
Delete a metal binding atom
Added by Andrew M.
|
|
DeleteMetalbindingAtomAP
|
|
DeleteMetalbindingAtomCAP
|
|
DeleteProperty
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
delete a property from ResidueType
Added by Andy M.
|
|
DeletePropertyAP
|
|
DeletePropertyCAP
|
|
DeleteTerminalChi
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
Delete terminal chi angle
Added by Andrew M.
|
|
DeleteTerminalChiAP
|
|
DeleteTerminalChiCAP
|
|
ElectronConfiguration
/////////////////////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////////////////////
|
|
ElectronConfigurationAP
|
|
ElectronConfigurationCAP
|
|
Element
/////////////////////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////////////////////
|
|
ElementAP
|
|
ElementCAP
|
|
ElementSet
A set of Bcl Elements This class contains a vector of pointers each
of which points to an Element and the vector index is looked up by
an element_name string in a map.
|
|
ElementSetAP
|
|
ElementSetCAP
|
|
HeavyAtomFilter
The filter responsible for obtaining all heavy atoms.
|
|
HeavyAtomFilterAP
|
|
HeavyAtomFilterCAP
|
|
HeavyAtomWithHydrogensFilter
/////////////////////////////////////////////////////////////
////////////////////////////////////////////////////////////
The filter responsible for finding heavy atoms with hydrogens.
|
|
HeavyAtomWithHydrogensFilterAP
|
|
HeavyAtomWithHydrogensFilterCAP
|
|
HeavyAtomWithPolarHydrogensFilter
/////////////////////////////////////////////////////////////
////////////////////////////////////////////////////////////
The filter responsible for obtaining all heavy atoms with polar hydrogens attached to them.
|
|
HeavyAtomWithPolarHydrogensFilterAP
|
|
HeavyAtomWithPolarHydrogensFilterCAP
|
|
Hybridization
core/chemical/types.hh:33
|
|
HydrogenAtomFilter
/////////////////////////////////////////////////////////////
////////////////////////////////////////////////////////////
The filter responsible for all hydrogens.
|
|
HydrogenAtomFilterAP
|
|
HydrogenAtomFilterCAP
|
|
ICoorAtomID
Atom 's ID in internal coordinates in a ResidueType
|
|
ICoorAtomIDAP
|
|
ICoorAtomIDCAP
|
|
IdealBondLengthSet
A set of Elements This class contains a vector of pointers each of
which points to an Element and the vector index is looked up by an
element_name string in a map.
|
|
IdealBondLengthSetAP
|
|
IdealBondLengthSetCAP
|
|
MMAtomType
Basic MM atom type Simple class for holding the name and the LJ
properties of a Charmm molecular mechanics atom type.
|
|
MMAtomTypeAP
|
|
MMAtomTypeCAP
|
|
MMAtomTypeSet
A set of MMAtomTypes This class contains a vector of pointers each
of which points to an MMAtomType and the vector index is looked up
by an atom_name string in a map.
|
|
MMAtomTypeSetAP
|
|
MMAtomTypeSetCAP
|
|
NCAARotLibPath
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
set the path to a rotamer library for an NCAA that is not in
dunbrack
|
|
NCAARotLibPathAP
|
|
NCAARotLibPathCAP
|
|
Orbital
basic chemical atom name, element, certain properties and
parameters from .params file
|
|
OrbitalAP
|
|
OrbitalCAP
|
|
Patch
/////////////////////////////////////////////////////////////////////////////////////
A class patching basic ResidueType to create variant types,
containing multiple PatchCase
|
|
PatchAP
|
|
PatchCAP
|
|
PatchCase
A single case of a patch, eg proline Nterminus is a case of
NtermProteinFull
|
|
PatchCaseAP
|
|
PatchCaseCAP
|
|
PatchOperation
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
A single operation that needs to be applied in a residue patch
|
|
PatchOperationAP
|
|
PatchOperationCAP
|
|
PolarHydrogenFilter
/////////////////////////////////////////////////////////////
////////////////////////////////////////////////////////////
The filter responsible for all polar hydrogens.
|
|
PolarHydrogenFilterAP
|
|
PolarHydrogenFilterCAP
|
|
PrependMainchainAtom
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
add a mainchain atom before the first mainchain atom
|
|
PrependMainchainAtomAP
|
|
PrependMainchainAtomCAP
|
|
RealFilter
//////////////////////////////////////////////////////////
//////////////////////////////////////////////////////////
/////// PREDICATES for FILTERED GRAPHS ///////////////////
/////////////////////////////////////////////////////////
@default A filtered graph that doesn't contain fake/virtual atoms and fake/virtual bonds.
|
|
RealFilterAP
|
|
RealFilterCAP
|
|
RedefineChi
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
Redefine a chi angle
Added by Andy M.
|
|
RedefineChiAP
|
|
RedefineChiCAP
|
|
ResConnID
The ResConnID could more properly be called the ResidueConnector.
|
|
ResConnIDAP
|
|
ResConnIDCAP
|
|
ResidueConnection
A simple class marking atoms at inter-residue connections.
|
|
ResidueConnectionAP
|
|
ResidueConnectionCAP
|
|
ResidueDatabaseIO
core/chemical/ResidueDatabaseIO.hh:33
|
|
ResidueDatabaseIOAP
|
|
ResidueDatabaseIOCAP
|
|
ResidueLoader
core/chemical/ResidueLoader.hh:32
|
|
ResidueLoaderAP
|
|
ResidueLoaderCAP
|
|
ResidueLoaderCreator
core/chemical/ResidueLoaderCreator.hh:25
|
|
ResidueLoaderCreatorAP
|
|
ResidueLoaderCreatorCAP
|
|
ResidueLoaderOptions
core/chemical/ResidueLoaderOptions.hh:31
|
|
ResidueLoaderOptionsAP
|
|
ResidueLoaderOptionsCAP
|
|
ResidueLoaderOptionsCreator
core/chemical/ResidueLoaderOptionsCreator.hh:28
|
|
ResidueLoaderOptionsCreatorAP
|
|
ResidueLoaderOptionsCreatorCAP
|
|
ResidueProperties
This is a container class for the large assortment of properties
associated with ResidueTypes.
|
|
ResiduePropertiesAP
|
|
ResiduePropertiesCAP
|
|
ResidueProperty
Enumerators for all the properties that can be assigned to a
ResidueType.
|
|
ResidueSelector
/////////////////////////////////////////////////////////////////////////////////////
A class picking out a subset of ResidueType by multiple criteria
|
|
ResidueSelectorAP
|
|
ResidueSelectorCAP
|
|
ResidueSelectorSingle
/////////////////////////////////////////////////////////////////////////////////////
A base class for defining a ResidueSelector by a single criterion
|
|
ResidueSelectorSingleAP
|
|
ResidueSelectorSingleCAP
|
|
ResidueType
A class for defining a type of residue This class contains the
"chemical" information for residues as well as the ideal
xyz and internal coordinates for a residue (generated xyz
coordinates are found in core/conformation/Residue.hh).
|
|
ResidueTypeAP
|
|
ResidueTypeCAP
|
|
ResidueTypeKinWriter
core/chemical/ResidueTypeKinWriter.hh:36
|
|
ResidueTypeKinWriterAP
|
|
ResidueTypeKinWriterCAP
|
|
ResidueTypeSet
A collection of ResidueType defined One thing that is not nailed
down is whether a single ResidueSet can have ResidueType's with
different AtomTypeSets.
|
|
ResidueTypeSetAP
|
|
ResidueTypeSetCAP
|
|
RingConformer
A structure for storing information for specific, idealized ring
conformers.
|
|
RingConformerAP
|
|
RingConformerCAP
|
|
RingConformerManager
This class is a singleton and manages RingConformer data that
should only be read from the database one time and shared among all
RingConformerSets.
|
|
RingConformerManagerAP
|
|
RingConformerManagerCAP
|
|
RingConformerSet
core/chemical/RingConformerSet.hh:46
|
|
RingConformerSetAP
|
|
RingConformerSetCAP
|
|
Selector_AA
/////////////////////////////////////////////////////////////////////////////////////
Does the residue belong to ANY of these AAs?
|
|
Selector_AAAP
|
|
Selector_AACAP
|
|
Selector_CMDFLAG
/////////////////////////////////////////////////////////////////////////////////////
Is a certain string in the command-line option
-chemical:allow_patch present ? this selector does actually not
depend on the residuetype it is queried for
|
|
Selector_CMDFLAGAP
|
|
Selector_CMDFLAGCAP
|
|
Selector_MATCH_VARIANTS
/////////////////////////////////////////////////////////////////////////////////////
Does the residue have ALL of the variant types and no more
|
|
Selector_MATCH_VARIANTSAP
|
|
Selector_MATCH_VARIANTSCAP
|
|
Selector_NAME1
/////////////////////////////////////////////////////////////////////////////////////
Does the residue belong to ANY of these one-letter codes?
|
|
Selector_NAME1AP
|
|
Selector_NAME1CAP
|
|
Selector_NAME3
/////////////////////////////////////////////////////////////////////////////////////
Does the residue have to ANY of these three-letter codes?
|
|
Selector_NAME3AP
|
|
Selector_NAME3CAP
|
|
Selector_NO_VARIANTS
/////////////////////////////////////////////////////////////////////////////////////
Does the residue have NO variant types?
|
|
Selector_NO_VARIANTSAP
|
|
Selector_NO_VARIANTSCAP
|
|
Selector_PROPERTY
/////////////////////////////////////////////////////////////////////////////////////
Does the residue have ANY of these properties?
|
|
Selector_PROPERTYAP
|
|
Selector_PROPERTYCAP
|
|
Selector_UPPER_POSITION
/////////////////////////////////////////////////////////////////////////////////////
Does the main chain of this residue follow from the given position
label? By position, it is meant the single digit integer by which
atoms are labeled to indicate their position.
|
|
Selector_UPPER_POSITIONAP
|
|
Selector_UPPER_POSITIONCAP
|
|
Selector_VARIANT_TYPE
/////////////////////////////////////////////////////////////////////////////////////
Does the residue have ANY of variant types?
|
|
Selector_VARIANT_TYPEAP
|
|
Selector_VARIANT_TYPECAP
|
|
SetAtomType
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
set atom's chemical type
|
|
SetAtomTypeAP
|
|
SetAtomTypeCAP
|
|
SetAtomicCharge
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
set an atom's charge
|
|
SetAtomicChargeAP
|
|
SetAtomicChargeCAP
|
|
SetBackboneHeavyatom
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
set an atom as backbone heavy atom
|
|
SetBackboneHeavyatomAP
|
|
SetBackboneHeavyatomCAP
|
|
SetFormalCharge
////////////////////////////////////////////////////////////////////////////
A patch operation for setting the formal charge of a ResidueType's
atom.
|
|
SetFormalChargeAP
|
|
SetFormalChargeCAP
|
|
SetICoor
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
set an atom's AtomICoord
|
|
SetICoorAP
|
|
SetICoorCAP
|
|
SetIO_String
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
set atom's chemical type
|
|
SetIO_StringAP
|
|
SetIO_StringCAP
|
|
SetInterchangeabilityGroup_String
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
set the interchangeability_group string for a ResidueType
|
|
SetInterchangeabilityGroup_StringAP
|
|
SetInterchangeabilityGroup_StringCAP
|
|
SetMMAtomType
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
set atom's MM chemical type
|
|
SetMMAtomTypeAP
|
|
SetMMAtomTypeCAP
|
|
SetNbrAtom
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
set the residue neighbor atom
|
|
SetNbrAtomAP
|
|
SetNbrAtomCAP
|
|
SetNbrRadius
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
set the residue neighbor radius
|
|
SetNbrRadiusAP
|
|
SetNbrRadiusCAP
|
|
SetOrientAtom
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
Set orient atom selection mode.
|
|
SetOrientAtomAP
|
|
SetOrientAtomCAP
|
|
SetPolymerConnectAtom
////////////////////////////////////////////////////////////////////////////////////////////////////////////////////
set an atom as polymer connection
|
|
SetPolymerConnectAtomAP
|
|
SetPolymerConnectAtomCAP
|
|
SingletonBase_T_core_chemical_ChemicalManager_T
SingletonBase is meant to serve as a base class for singleton
classes in Rosetta handling the initialization of the singleton in
a thread-safe way.
|
|
SingletonBase_T_core_chemical_ChemicalManager_TAP
|
|
SingletonBase_T_core_chemical_ChemicalManager_TCAP
|
|
SingletonBase_T_core_chemical_RingConformerManager_T
SingletonBase is meant to serve as a base class for singleton
classes in Rosetta handling the initialization of the singleton in
a thread-safe way.
|
|
SingletonBase_T_core_chemical_RingConformerManager_TAP
|
|
SingletonBase_T_core_chemical_RingConformerManager_TCAP
|
|
VariantType
Enumerators for all the ResidueType variants.
|
|
__CPP_AddAtomAlias__
|
|
__CPP_AddAtom__
|
|
__CPP_AddBondType__
|
|
__CPP_AddBond__
|
|
__CPP_AddChiRotamer__
|
|
__CPP_AddChi__
|
|
__CPP_AddConnect__
|
|
__CPP_AddProperty__
|
|
__CPP_AddProtonChi__
|
|
__CPP_AppendInterchangeabilityGroup_String__
|
|
__CPP_AppendMainchainAtom__
|
|
__CPP_DeleteAtom__
|
|
__CPP_DeleteMetalbindingAtom__
|
|
__CPP_DeleteProperty__
|
|
__CPP_DeleteTerminalChi__
|
|
__CPP_NCAARotLibPath__
|
|
__CPP_PatchCase__
|
|
__CPP_PatchOperation__
|
|
__CPP_Patch__
|
|
__CPP_PrependMainchainAtom__
|
|
__CPP_RedefineChi__
|
|
__CPP_ResidueLoaderCreator__
|
|
__CPP_ResidueLoaderOptionsCreator__
|
|
__CPP_ResidueLoaderOptions__
|
|
__CPP_ResidueLoader__
|
|
__CPP_ResidueProperties__
|
|
__CPP_ResidueSelectorSingle__
|
|
__CPP_RingConformerSet__
|
|
__CPP_Selector_AA__
|
|
__CPP_Selector_CMDFLAG__
|
|
__CPP_Selector_MATCH_VARIANTS__
|
|
__CPP_Selector_NAME1__
|
|
__CPP_Selector_NAME3__
|
|
__CPP_Selector_NO_VARIANTS__
|
|
__CPP_Selector_PROPERTY__
|
|
__CPP_Selector_UPPER_POSITION__
|
|
__CPP_Selector_VARIANT_TYPE__
|
|
__CPP_SetAtomType__
|
|
__CPP_SetAtomicCharge__
|
|
__CPP_SetBackboneHeavyatom__
|
|
__CPP_SetFormalCharge__
|
|
__CPP_SetICoor__
|
|
__CPP_SetIO_String__
|
|
__CPP_SetInterchangeabilityGroup_String__
|
|
__CPP_SetMMAtomType__
|
|
__CPP_SetNbrAtom__
|
|
__CPP_SetNbrRadius__
|
|
__CPP_SetOrientAtom__
|
|
__CPP_SetPolymerConnectAtom__
|
|
aa_from_name(...)
aa_from_name( (str)name) -> AA :
///////////////////////////////////////////////////////
Give an AA string name, return its enum type. |
|
|
|
aa_from_oneletter_code(...)
aa_from_oneletter_code( (str)onelettercode) -> AA :
////////////////////////////////////////////////////////
give a 1 letter code and return the string name
//////////////////////////////////////////////////////// |
|
|
|
add_atom_type_set_parameters_from_command_line(...)
add_atom_type_set_parameters_from_command_line( (str)atom_type_set_tag, (AtomTypeSet)atom_type_set) -> None :
Add additional parameter files not present in <atom-set-name>/extras.txt. |
|
|
|
apply_adducts_to_residue(...)
apply_adducts_to_residue( (ResidueType)rsd, (vector1_bool)add_mask) -> ResidueType :
Apply adducts to residue using a boolean mask |
|
|
|
calculate_rigid_matrix(...)
calculate_rigid_matrix( (ResidueType)res, (vec1_vec1_Real)distances) -> None :
Calculate the rigid matrix for neighbor atom finding
Assume that distances has been initialized to some really large value, and is square |
|
|
|
|
|
|
|
create_bond_length(...)
create_bond_length( (object)atom1, (object)atom2, (BondName)bond_type) -> float :
core/chemical/bond_support.hh:34 |
|
|
|
define_mainchain_atoms(...)
define_mainchain_atoms( (ResidueType)rsd) -> vector1_Size :
If polymer, determine a list of main chain atoms by shortest path from LOWER to UPPER. |
|
|
|
enlarge_h_lj_wdepth(...)
enlarge_h_lj_wdepth( (AtomTypeSet)atom_type_set) -> None :
core/chemical/util.hh:73 |
|
|
|
error_check_requested_adducts(...)
error_check_requested_adducts( (map_string_int)add_map, (object)rsd_types) -> None :
Make sure requested adducts exist in some residue |
|
|
|
fill_ideal_xyz_from_icoor(...)
fill_ideal_xyz_from_icoor( (ResidueType)restype, (object)graph) -> None :
core/chemical/icoor_support.hh:44 |
|
|
|
find_bonds_in_rings(...)
find_bonds_in_rings( (ResidueType)res) -> None :
Determine which bonds are in rings, and set the BondRingness property of each |
|
|
|
find_chi_bonds(...)
find_chi_bonds( (ResidueType)restype) -> object :
Find which bonds are rotatatable (chi) bonds
Returns a list of four vds representing the chi |
|
|
|
find_nbr_dist(...)
find_nbr_dist( (ResidueType)res, (object)nbr_atom) -> float :
Find the neighbor distance to the given neighbor atom. |
|
|
|
fixup_patches(...)
fixup_patches( (str)string_in) -> str :
Replaces the deprecated "_p:" linker connecting ResidueType base names with their patch names with ":". |
|
|
|
formatted_icoord_tree(...)
formatted_icoord_tree( (ResidueType)restype) -> str :
Return a string representing the internal coordinates tree of this ResidueType. |
|
|
|
get_D_equivalent(...)
get_D_equivalent( (AA)aa) -> AA :
///////////////////////////////////////////////////////
Given an enum type for a L-amino acid with a
canonical side-chain, return the enum type for the
corresponding D-amino acid (or aa_unk if the
corresponding D-amino acid cannot be determined). |
|
|
|
get_L_equivalent(...)
get_L_equivalent( (AA)aa) -> AA :
///////////////////////////////////////////////////////
Given an enum type for a D-amino acid with a
canonical side-chain, return the enum type for the
corresponding L-amino acid (or aa_unk if the
corresponding L-amino acid cannot be determined). |
|
|
|
get_bond(...)
get_bond( (ResidueType)res, (object)source, (object)target) -> object :
core/chemical/bond_support.hh:30 |
|
|
|
get_connecting_atoms(...)
get_connecting_atoms( (object)res, (object)edge) -> object :
core/chemical/bond_support.hh:29 |
|
|
|
get_residue_path_distances(...)
get_residue_path_distances( (ResidueType)res) -> object :
relies on class Graph to find all pairs shortest path information |
|
|
|
get_rpp_charge(...)
get_rpp_charge( (str)type) -> float :
Get charge for atom type based on Rosetta++ aaproperties_pack.cc values |
|
|
|
has(...)
has( (object)graph, (object)ed) -> bool :
Does a ResidueGraph have a given edge descriptor? |
|
|
|
is_canonical_D_aa(...)
is_canonical_D_aa( (AA)aa) -> bool :
///////////////////////////////////////////////////////
Give an enum type, return true if and only if
it is a D-amino acid that is the mirror image of a
canonical alpha-L-amino acid. |
|
|
|
is_sp2_proton_chi(...)
is_sp2_proton_chi( (int)chi, (ResidueType)restype) -> bool :
Is the given chi a proton chi with the proton attached to an atom attached to an non-sp3 atom?
The use case is to see if the proton chi should flat or staggered with rotamers |
|
|
|
modify_atom_properties_from_command_line(...)
modify_atom_properties_from_command_line( (str)atom_type_set_tag, (AtomTypeSet)atom_type_set) -> None :
Modify atom_type properties from the command line. |
|
|
|
name_from_aa(...)
name_from_aa( (AA)aa) -> str :
////////////////////////////////////////////////////
give a enum type and return the string name
//////////////////////////////////////////////////// |
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|
|
nonadduct_variants_match(...)
nonadduct_variants_match( (ResidueType)res1, (ResidueType)res2) -> bool :
Similar to variants_match(), but allows different adduct-modified states. |
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|
|
oneletter_code_from_aa(...)
oneletter_code_from_aa( (AA)aa) -> str :
////////////////////////////////////////////////////
give a enum type and return the string name
//////////////////////////////////////////////////// |
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|
|
parse_adduct_string(...)
parse_adduct_string( (object)add_vec) -> map_string_int :
Convert input string to map of adducts->max usage |
|
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|
|
pretty_print_atomicoor(...)
pretty_print_atomicoor( (OStream)out, (AtomICoor)start, (ResidueType)rsd_type [, (int)indent=0]) -> None :
core/chemical/AtomICoor.hh:385 |
|
|
|
print_chis(...)
print_chis( (OStream)out, (ResidueType)res) -> None :
Utility to examine chi output. |
|
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|
read_topology_file(...)
read_topology_file( (object)istream, (AtomTypeSetCAP)atom_types, (ElementSetCAP)elements, (MMAtomTypeSetCAP)mm_atom_types, (OrbitalTypeSetCAP)orbital_atom_types, (ResidueTypeSetCAP)rsd_type_set) -> ResidueType :
core/chemical/residue_io.hh:57 |
|
|
|
rename_atoms(...)
rename_atoms( (ResidueType)res [, (bool)preserve=True]) -> None :
Rename atoms in the residue type such that their names are unique. |
|
|
|
reroot_restype(...)
reroot_restype( (ResidueType)restype, (object)graph, (object)root) -> None :
core/chemical/icoor_support.hh:39 |
|
|
|
residue_selector_single_from_line(...)
residue_selector_single_from_line( (str)line) -> ResidueSelectorSingle :
/////////////////////////////////////////////////////////////////////////////////////
create a singe ResidueSelector from an input line. |
|
|
|
residue_type_all_patches_name(...)
residue_type_all_patches_name( (ResidueType)rsd_type) -> str :
helper function, returns the name of all added patches |
|
|
|
residue_type_base_name(...)
residue_type_base_name( (ResidueType)rsd_type) -> str :
helper function, returns the base residue name prior to any patching |
|
|
|
retype_is_aromatic(...)
retype_is_aromatic( (object)atom, (object)graph) -> bool :
core/chemical/atomtype_support.hh:24 |
|
|
|
rosetta_recharge_fullatom(...)
rosetta_recharge_fullatom( (ResidueType)res) -> None :
Apply molfile_to_params style partial charges to the ResidueType. |
|
|
|
rosetta_retype_fullatom(...)
rosetta_retype_fullatom( (ResidueType)restype [, (bool)preserve=False]) -> None :
Reassign Rosetta atom types based on the current fullatom heuristics. |
|
|
ResidueTypeSetCAP :
|
rsd_set_from_cmd_line()
Return a constant access pointer to the ResidueTypeSet specified by the command-line options. |
|
|
|
|
|
|
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|
|
variants_match(...)
variants_match( (ResidueType)res1, (ResidueType)res2) -> bool :
Are these two residues patched in exactly the same way? |
|
|
|
variants_match_with_exceptions(...)
variants_match_with_exceptions( (ResidueType)res1, (ResidueType)res2, (object)list_of_variants_to_ignore) -> bool :
Are these two residues patched in exactly the same way, ignoring any VariantTypes in the list of exceptions? |
|
|
|
write_topology_file(...)
write_topology_file( (ResidueType)rsd [, (str)filename='']) -> None :
writes a .params file from a given ResidueType object |
|
|
|
ACETYLAMINO_SUGAR = rosetta.core.chemical._core_chemical_.Resi...
|
|
ACETYLATED_NTERMINUS = rosetta.core.chemical._core_chemical_.R...
|
|
ACETYLATED_NTERMINUS_VARIANT = rosetta.core.chemical._core_che...
|
|
ACETYLATION = rosetta.core.chemical._core_chemical_.VariantTyp...
|
|
ACETYL_SUGAR = rosetta.core.chemical._core_chemical_.ResiduePr...
|
|
ADDUCT = rosetta.core.chemical._core_chemical_.ResidueProperty...
|
|
ADDUCT_VARIANT = rosetta.core.chemical._core_chemical_.Variant...
|
|
ALDONIC_ACID = rosetta.core.chemical._core_chemical_.ResiduePr...
|
|
ALDONIC_ACID_VARIANT = rosetta.core.chemical._core_chemical_.V...
|
|
ALDOSE = rosetta.core.chemical._core_chemical_.ResidueProperty...
|
|
ALPHA_AA = rosetta.core.chemical._core_chemical_.ResidueProper...
|
|
ALPHA_SUGAR = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
ALTERNATIVE_PROTONATION = rosetta.core.chemical._core_chemical...
|
|
AMINO_SUGAR = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
AROMATIC = rosetta.core.chemical._core_chemical_.ResidueProper...
|
|
AromaticBond = rosetta.core.chemical._core_chemical_.BondName....
|
|
BETA_AA = rosetta.core.chemical._core_chemical_.ResiduePropert...
|
|
BETA_SUGAR = rosetta.core.chemical._core_chemical_.ResidueProp...
|
|
BRANCH_LOWER_TERMINUS = rosetta.core.chemical._core_chemical_....
|
|
BRANCH_LOWER_TERMINUS_VARIANT = rosetta.core.chemical._core_ch...
|
|
BRANCH_POINT = rosetta.core.chemical._core_chemical_.ResiduePr...
|
|
BULGE = rosetta.core.chemical._core_chemical_.VariantType.BULGE
|
|
BondInRing = rosetta.core.chemical._core_chemical_.BondRingnes...
|
|
BondNotInRing = rosetta.core.chemical._core_chemical_.BondRing...
|
|
C1_ACETYLAMINO_SUGAR = rosetta.core.chemical._core_chemical_.V...
|
|
C1_AMINO_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C1_BRANCH_POINT = rosetta.core.chemical._core_chemical_.Varian...
|
|
C1_DEOXY_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C1_MODIFIED = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
C1_PHOSPHATE = rosetta.core.chemical._core_chemical_.VariantTy...
|
|
C2_ACETYLAMINO_SUGAR = rosetta.core.chemical._core_chemical_.V...
|
|
C2_AMINO_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C2_BRANCH_POINT = rosetta.core.chemical._core_chemical_.Varian...
|
|
C2_DEOXY_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C2_KETOALDONIC_ACID = rosetta.core.chemical._core_chemical_.Va...
|
|
C2_MODIFIED = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
C2_PHOSPHATE = rosetta.core.chemical._core_chemical_.VariantTy...
|
|
C3_ACETYLAMINO_SUGAR = rosetta.core.chemical._core_chemical_.V...
|
|
C3_AMINO_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C3_BRANCH_POINT = rosetta.core.chemical._core_chemical_.Varian...
|
|
C3_DEOXY_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C3_KETOALDONIC_ACID = rosetta.core.chemical._core_chemical_.Va...
|
|
C3_MODIFIED = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
C3_PHOSPHATE = rosetta.core.chemical._core_chemical_.VariantTy...
|
|
C4_ACETYLAMINO_SUGAR = rosetta.core.chemical._core_chemical_.V...
|
|
C4_AMINO_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C4_BRANCH_POINT = rosetta.core.chemical._core_chemical_.Varian...
|
|
C4_DEOXY_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C4_KETOALDONIC_ACID = rosetta.core.chemical._core_chemical_.Va...
|
|
C4_MODIFIED = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
C4_PHOSPHATE = rosetta.core.chemical._core_chemical_.VariantTy...
|
|
C5_ACETYLAMINO_SUGAR = rosetta.core.chemical._core_chemical_.V...
|
|
C5_AMINO_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C5_BRANCH_POINT = rosetta.core.chemical._core_chemical_.Varian...
|
|
C5_DEOXY_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C5_KETOALDONIC_ACID = rosetta.core.chemical._core_chemical_.Va...
|
|
C5_MODIFIED = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
C5_PHOSPHATE = rosetta.core.chemical._core_chemical_.VariantTy...
|
|
C6_ACETYLAMINO_SUGAR = rosetta.core.chemical._core_chemical_.V...
|
|
C6_AMINO_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C6_BRANCH_POINT = rosetta.core.chemical._core_chemical_.Varian...
|
|
C6_DEOXY_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C6_KETOALDONIC_ACID = rosetta.core.chemical._core_chemical_.Va...
|
|
C6_MODIFIED = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
C6_PHOSPHATE = rosetta.core.chemical._core_chemical_.VariantTy...
|
|
C7_ACETYLAMINO_SUGAR = rosetta.core.chemical._core_chemical_.V...
|
|
C7_AMINO_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C7_BRANCH_POINT = rosetta.core.chemical._core_chemical_.Varian...
|
|
C7_DEOXY_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C7_KETOALDONIC_ACID = rosetta.core.chemical._core_chemical_.Va...
|
|
C7_MODIFIED = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
C7_PHOSPHATE = rosetta.core.chemical._core_chemical_.VariantTy...
|
|
C8_ACETYLAMINO_SUGAR = rosetta.core.chemical._core_chemical_.V...
|
|
C8_AMINO_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C8_BRANCH_POINT = rosetta.core.chemical._core_chemical_.Varian...
|
|
C8_DEOXY_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C8_KETOALDONIC_ACID = rosetta.core.chemical._core_chemical_.Va...
|
|
C8_MODIFIED = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
C8_PHOSPHATE = rosetta.core.chemical._core_chemical_.VariantTy...
|
|
C9_ACETYLAMINO_SUGAR = rosetta.core.chemical._core_chemical_.V...
|
|
C9_AMINO_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C9_BRANCH_POINT = rosetta.core.chemical._core_chemical_.Varian...
|
|
C9_DEOXY_SUGAR = rosetta.core.chemical._core_chemical_.Variant...
|
|
C9_MODIFIED = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
C9_PHOSPHATE = rosetta.core.chemical._core_chemical_.VariantTy...
|
|
CARBOHYDRATE = rosetta.core.chemical._core_chemical_.ResiduePr...
|
|
CARBOXYLATION = rosetta.core.chemical._core_chemical_.VariantT...
|
|
CENTROID_HA = rosetta.core.chemical._core_chemical_.VariantTyp...
|
|
CHARGED = rosetta.core.chemical._core_chemical_.ResiduePropert...
|
|
COARSE = rosetta.core.chemical._core_chemical_.ResidueProperty...
|
|
CTERM_CONNECT = rosetta.core.chemical._core_chemical_.VariantT...
|
|
CUTPOINT_LOWER = rosetta.core.chemical._core_chemical_.Variant...
|
|
CUTPOINT_UPPER = rosetta.core.chemical._core_chemical_.Variant...
|
|
CYCLIC = rosetta.core.chemical._core_chemical_.ResidueProperty...
|
|
C_METHYLAMIDATION = rosetta.core.chemical._core_chemical_.Vari...
|
|
ConjugableBond = rosetta.core.chemical._core_chemical_.BondCon...
|
|
DEOXY_SUGAR = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
DEPROTONATED = rosetta.core.chemical._core_chemical_.VariantTy...
|
|
DIIODINATION = rosetta.core.chemical._core_chemical_.VariantTy...
|
|
DIMETHYLATION = rosetta.core.chemical._core_chemical_.VariantT...
|
|
DISULFIDE = rosetta.core.chemical._core_chemical_.VariantType....
|
|
DISULFIDE_BONDED = rosetta.core.chemical._core_chemical_.Resid...
|
|
DNA = rosetta.core.chemical._core_chemical_.ResidueProperty.DNA
|
|
D_AA = rosetta.core.chemical._core_chemical_.ResidueProperty.D_AA
|
|
D_SUGAR = rosetta.core.chemical._core_chemical_.ResiduePropert...
|
|
DoubleBond = rosetta.core.chemical._core_chemical_.BondName.Do...
|
|
DoubleBondOrder = rosetta.core.chemical._core_chemical_.BondOr...
|
|
EIsometry = rosetta.core.chemical._core_chemical_.BondIsometry...
|
|
FIRST_PROPERTY = rosetta.core.chemical._core_chemical_.Residue...
|
|
FIRST_VARIANT = rosetta.core.chemical._core_chemical_.VariantT...
|
|
FIVE_PRIME_END_OH = rosetta.core.chemical._core_chemical_.Vari...
|
|
FIVE_PRIME_END_PHOSPHATE = rosetta.core.chemical._core_chemica...
|
|
FIVE_PRIME_PACKABLE_PHOSPHATE = rosetta.core.chemical._core_ch...
|
|
FIVE_PRIME_PHOSPHATE = rosetta.core.chemical._core_chemical_.V...
|
|
FORMS_DISULFIDE_BOND = rosetta.core.chemical._core_chemical_.R...
|
|
FURANOSE = rosetta.core.chemical._core_chemical_.ResidueProper...
|
|
GAMMA_AA = rosetta.core.chemical._core_chemical_.ResidueProper...
|
|
GLYCOSIDE = rosetta.core.chemical._core_chemical_.ResiduePrope...
|
|
HBS_POST = rosetta.core.chemical._core_chemical_.VariantType.H...
|
|
HBS_PRE = rosetta.core.chemical._core_chemical_.VariantType.HB...
|
|
HYBRID_MAX = rosetta.core.chemical._core_chemical_.Hybridizati...
|
|
HYDROXYLATION = rosetta.core.chemical._core_chemical_.VariantT...
|
|
HYDROXYLATION1 = rosetta.core.chemical._core_chemical_.Variant...
|
|
HYDROXYLATION2 = rosetta.core.chemical._core_chemical_.Variant...
|
|
IsAromaticBond = rosetta.core.chemical._core_chemical_.BondAro...
|
|
KETOSE = rosetta.core.chemical._core_chemical_.ResidueProperty...
|
|
LIGAND = rosetta.core.chemical._core_chemical_.ResidueProperty...
|
|
LIPID = rosetta.core.chemical._core_chemical_.ResidueProperty....
|
|
LOWERTERM_TRUNC = rosetta.core.chemical._core_chemical_.Residu...
|
|
LOWERTERM_TRUNC_VARIANT = rosetta.core.chemical._core_chemical...
|
|
LOWER_TERMINUS = rosetta.core.chemical._core_chemical_.Residue...
|
|
LOWER_TERMINUS_VARIANT = rosetta.core.chemical._core_chemical_...
|
|
L_AA = rosetta.core.chemical._core_chemical_.ResidueProperty.L_AA
|
|
L_SUGAR = rosetta.core.chemical._core_chemical_.ResiduePropert...
|
|
MEMBRANE = rosetta.core.chemical._core_chemical_.ResidueProper...
|
|
METAL = rosetta.core.chemical._core_chemical_.ResidueProperty....
|
|
METALBINDING = rosetta.core.chemical._core_chemical_.ResiduePr...
|
|
METHYLATED_CTERMINUS = rosetta.core.chemical._core_chemical_.R...
|
|
METHYLATED_CTERMINUS_VARIANT = rosetta.core.chemical._core_che...
|
|
METHYLATED_NTERM_VARIANT = rosetta.core.chemical._core_chemica...
|
|
METHYLATION = rosetta.core.chemical._core_chemical_.VariantTyp...
|
|
METHYL_GLYCOSIDE = rosetta.core.chemical._core_chemical_.Varia...
|
|
NE2_CONNECT = rosetta.core.chemical._core_chemical_.VariantTyp...
|
|
NTERM_CONNECT = rosetta.core.chemical._core_chemical_.VariantT...
|
|
N_ACETYLATION = rosetta.core.chemical._core_chemical_.VariantT...
|
|
N_PROPERTIES = rosetta.core.chemical._core_chemical_.ResiduePr...
|
|
N_VARIANTS = rosetta.core.chemical._core_chemical_.VariantType...
|
|
NoBondIsometry = rosetta.core.chemical._core_chemical_.BondIso...
|
|
NonaromaticBond = rosetta.core.chemical._core_chemical_.BondAr...
|
|
NotConjugableBond = rosetta.core.chemical._core_chemical_.Bond...
|
|
OOP_POST = rosetta.core.chemical._core_chemical_.VariantType.O...
|
|
OOP_PRE = rosetta.core.chemical._core_chemical_.VariantType.OO...
|
|
OXETOSE = rosetta.core.chemical._core_chemical_.ResiduePropert...
|
|
OXIROSE = rosetta.core.chemical._core_chemical_.ResiduePropert...
|
|
OrbitalBond = rosetta.core.chemical._core_chemical_.BondName.O...
|
|
OrbitalBondOrder = rosetta.core.chemical._core_chemical_.BondO...
|
|
PEPTOID = rosetta.core.chemical._core_chemical_.ResiduePropert...
|
|
PHI = rosetta.core.chemical._core_chemical_.CPParameter.PHI
|
|
PHOSPHATE = rosetta.core.chemical._core_chemical_.ResiduePrope...
|
|
PHOSPHONATE = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
PHOSPHONATE_UPPER = rosetta.core.chemical._core_chemical_.Resi...
|
|
PHOSPHONATE_UPPER_VARIANT = rosetta.core.chemical._core_chemic...
|
|
PHOSPHORYLATION = rosetta.core.chemical._core_chemical_.Varian...
|
|
POLAR = rosetta.core.chemical._core_chemical_.ResidueProperty....
|
|
POLYMER = rosetta.core.chemical._core_chemical_.ResiduePropert...
|
|
PROTEIN = rosetta.core.chemical._core_chemical_.ResiduePropert...
|
|
PROTONATED = rosetta.core.chemical._core_chemical_.VariantType...
|
|
PROTONATED_H1_ADENOSINE = rosetta.core.chemical._core_chemical...
|
|
PYRANOSE = rosetta.core.chemical._core_chemical_.ResidueProper...
|
|
PseudoBondOrder = rosetta.core.chemical._core_chemical_.BondOr...
|
|
REPLONLY = rosetta.core.chemical._core_chemical_.VariantType.R...
|
|
RING_HYBRID = rosetta.core.chemical._core_chemical_.Hybridizat...
|
|
RNA = rosetta.core.chemical._core_chemical_.ResidueProperty.RNA
|
|
SC_BRANCH_POINT = rosetta.core.chemical._core_chemical_.Varian...
|
|
SC_FRAGMENT = rosetta.core.chemical._core_chemical_.VariantTyp...
|
|
SC_ORBITALS = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
SEPTANOSE = rosetta.core.chemical._core_chemical_.ResiduePrope...
|
|
SG_CONNECT = rosetta.core.chemical._core_chemical_.VariantType...
|
|
SHOVE_BB = rosetta.core.chemical._core_chemical_.VariantType.S...
|
|
SIALIC_ACID = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
SIDECHAIN_CONJUGATION = rosetta.core.chemical._core_chemical_....
|
|
SP2_HYBRID = rosetta.core.chemical._core_chemical_.Hybridizati...
|
|
SP3_HYBRID = rosetta.core.chemical._core_chemical_.Hybridizati...
|
|
SPECIAL_ROT = rosetta.core.chemical._core_chemical_.VariantTyp...
|
|
SRI = rosetta.core.chemical._core_chemical_.ResidueProperty.SRI
|
|
SULFATION = rosetta.core.chemical._core_chemical_.VariantType....
|
|
SURFACE = rosetta.core.chemical._core_chemical_.ResiduePropert...
|
|
SingleBond = rosetta.core.chemical._core_chemical_.BondName.Si...
|
|
SingleBondOrder = rosetta.core.chemical._core_chemical_.BondOr...
|
|
TAUTOMER = rosetta.core.chemical._core_chemical_.ResidueProper...
|
|
THETA = rosetta.core.chemical._core_chemical_.CPParameter.THETA
|
|
THREE_PRIME_END_OH = rosetta.core.chemical._core_chemical_.Var...
|
|
THREE_PRIME_PACKABLE_PHOSPHATE = rosetta.core.chemical._core_c...
|
|
THREE_PRIME_PHOSPHATE = rosetta.core.chemical._core_chemical_....
|
|
TRIAZOLEMER = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
TRIMETHYLATION = rosetta.core.chemical._core_chemical_.Variant...
|
|
TripleBond = rosetta.core.chemical._core_chemical_.BondName.Tr...
|
|
TripleBondOrder = rosetta.core.chemical._core_chemical_.BondOr...
|
|
UNKNOWN_HYBRID = rosetta.core.chemical._core_chemical_.Hybridi...
|
|
UPPERTERM_TRUNC = rosetta.core.chemical._core_chemical_.Residu...
|
|
UPPERTERM_TRUNC_VARIANT = rosetta.core.chemical._core_chemical...
|
|
UPPER_TERMINUS = rosetta.core.chemical._core_chemical_.Residue...
|
|
UPPER_TERMINUS_VARIANT = rosetta.core.chemical._core_chemical_...
|
|
URONIC_ACID = rosetta.core.chemical._core_chemical_.ResiduePro...
|
|
URONIC_ACID_VARIANT = rosetta.core.chemical._core_chemical_.Va...
|
|
UnknownAromaticity = rosetta.core.chemical._core_chemical_.Bon...
|
|
UnknownBond = rosetta.core.chemical._core_chemical_.BondName.U...
|
|
UnknownBondOrder = rosetta.core.chemical._core_chemical_.BondO...
|
|
UnknownConjugability = rosetta.core.chemical._core_chemical_.B...
|
|
UnknownIsometry = rosetta.core.chemical._core_chemical_.BondIs...
|
|
UnknownRingness = rosetta.core.chemical._core_chemical_.BondRi...
|
|
VIRTUAL_BACKBONE_EXCEPT_C1PRIME = rosetta.core.chemical._core_...
|
|
VIRTUAL_BASE = rosetta.core.chemical._core_chemical_.VariantTy...
|
|
VIRTUAL_BASE_HEAVY_ATOM = rosetta.core.chemical._core_chemical...
|
|
VIRTUAL_BB = rosetta.core.chemical._core_chemical_.VariantType...
|
|
VIRTUAL_DNA_PHOSPHATE = rosetta.core.chemical._core_chemical_....
|
|
VIRTUAL_NTERM = rosetta.core.chemical._core_chemical_.VariantT...
|
|
VIRTUAL_O2PRIME_HYDROGEN = rosetta.core.chemical._core_chemica...
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VIRTUAL_PHOSPHATE = rosetta.core.chemical._core_chemical_.Vari...
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|
VIRTUAL_RESIDUE = rosetta.core.chemical._core_chemical_.Residu...
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VIRTUAL_RESIDUE_VARIANT = rosetta.core.chemical._core_chemical...
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|
VIRTUAL_RIBOSE = rosetta.core.chemical._core_chemical_.Variant...
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VIRTUAL_RNA_RESIDUE = rosetta.core.chemical._core_chemical_.Va...
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VIRTUAL_RNA_RESIDUE_EXCLUDE_PHOSPHATE = rosetta.core.chemical....
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|
VIRTUAL_SIDE_CHAIN = rosetta.core.chemical._core_chemical_.Var...
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WATER = rosetta.core.chemical._core_chemical_.ResidueProperty....
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ZIsometry = rosetta.core.chemical._core_chemical_.BondIsometry...
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ZN_CONNECT = rosetta.core.chemical._core_chemical_.VariantType...
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__package__ = None
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|
aa_ala = rosetta.core.chemical._core_chemical_.AA.aa_ala
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aa_arg = rosetta.core.chemical._core_chemical_.AA.aa_arg
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aa_asn = rosetta.core.chemical._core_chemical_.AA.aa_asn
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aa_asp = rosetta.core.chemical._core_chemical_.AA.aa_asp
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aa_b3a = rosetta.core.chemical._core_chemical_.AA.aa_b3a
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aa_b3c = rosetta.core.chemical._core_chemical_.AA.aa_b3c
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aa_b3cisACHC = rosetta.core.chemical._core_chemical_.AA.aa_b3c...
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aa_b3cisACPC = rosetta.core.chemical._core_chemical_.AA.aa_b3c...
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aa_b3cisACPrC = rosetta.core.chemical._core_chemical_.AA.aa_b3...
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aa_b3d = rosetta.core.chemical._core_chemical_.AA.aa_b3d
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aa_b3e = rosetta.core.chemical._core_chemical_.AA.aa_b3e
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|
aa_b3f = rosetta.core.chemical._core_chemical_.AA.aa_b3f
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aa_b3g = rosetta.core.chemical._core_chemical_.AA.aa_b3g
|
|
aa_b3h = rosetta.core.chemical._core_chemical_.AA.aa_b3h
|
|
aa_b3i = rosetta.core.chemical._core_chemical_.AA.aa_b3i
|
|
aa_b3k = rosetta.core.chemical._core_chemical_.AA.aa_b3k
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|
aa_b3l = rosetta.core.chemical._core_chemical_.AA.aa_b3l
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|
aa_b3m = rosetta.core.chemical._core_chemical_.AA.aa_b3m
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|
aa_b3n = rosetta.core.chemical._core_chemical_.AA.aa_b3n
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|
aa_b3p = rosetta.core.chemical._core_chemical_.AA.aa_b3p
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|
aa_b3q = rosetta.core.chemical._core_chemical_.AA.aa_b3q
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|
aa_b3r = rosetta.core.chemical._core_chemical_.AA.aa_b3r
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|
aa_b3s = rosetta.core.chemical._core_chemical_.AA.aa_b3s
|
|
aa_b3t = rosetta.core.chemical._core_chemical_.AA.aa_b3t
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|
aa_b3v = rosetta.core.chemical._core_chemical_.AA.aa_b3v
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aa_b3w = rosetta.core.chemical._core_chemical_.AA.aa_b3w
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|
aa_b3y = rosetta.core.chemical._core_chemical_.AA.aa_b3y
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|
aa_cys = rosetta.core.chemical._core_chemical_.AA.aa_cys
|
|
aa_dal = rosetta.core.chemical._core_chemical_.AA.aa_dal
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|
aa_dan = rosetta.core.chemical._core_chemical_.AA.aa_dan
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|
aa_dar = rosetta.core.chemical._core_chemical_.AA.aa_dar
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|
aa_das = rosetta.core.chemical._core_chemical_.AA.aa_das
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|
aa_dcs = rosetta.core.chemical._core_chemical_.AA.aa_dcs
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|
aa_dgn = rosetta.core.chemical._core_chemical_.AA.aa_dgn
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|
aa_dgu = rosetta.core.chemical._core_chemical_.AA.aa_dgu
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|
aa_dhi = rosetta.core.chemical._core_chemical_.AA.aa_dhi
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|
aa_dil = rosetta.core.chemical._core_chemical_.AA.aa_dil
|
|
aa_dle = rosetta.core.chemical._core_chemical_.AA.aa_dle
|
|
aa_dly = rosetta.core.chemical._core_chemical_.AA.aa_dly
|
|
aa_dme = rosetta.core.chemical._core_chemical_.AA.aa_dme
|
|
aa_dph = rosetta.core.chemical._core_chemical_.AA.aa_dph
|
|
aa_dpr = rosetta.core.chemical._core_chemical_.AA.aa_dpr
|
|
aa_dse = rosetta.core.chemical._core_chemical_.AA.aa_dse
|
|
aa_dth = rosetta.core.chemical._core_chemical_.AA.aa_dth
|
|
aa_dtr = rosetta.core.chemical._core_chemical_.AA.aa_dtr
|
|
aa_dty = rosetta.core.chemical._core_chemical_.AA.aa_dty
|
|
aa_dva = rosetta.core.chemical._core_chemical_.AA.aa_dva
|
|
aa_gln = rosetta.core.chemical._core_chemical_.AA.aa_gln
|
|
aa_glu = rosetta.core.chemical._core_chemical_.AA.aa_glu
|
|
aa_gly = rosetta.core.chemical._core_chemical_.AA.aa_gly
|
|
aa_h2o = rosetta.core.chemical._core_chemical_.AA.aa_h2o
|
|
aa_his = rosetta.core.chemical._core_chemical_.AA.aa_his
|
|
aa_ile = rosetta.core.chemical._core_chemical_.AA.aa_ile
|
|
aa_leu = rosetta.core.chemical._core_chemical_.AA.aa_leu
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|
aa_lys = rosetta.core.chemical._core_chemical_.AA.aa_lys
|
|
aa_met = rosetta.core.chemical._core_chemical_.AA.aa_met
|
|
aa_phe = rosetta.core.chemical._core_chemical_.AA.aa_phe
|
|
aa_pro = rosetta.core.chemical._core_chemical_.AA.aa_pro
|
|
aa_ser = rosetta.core.chemical._core_chemical_.AA.aa_ser
|
|
aa_thr = rosetta.core.chemical._core_chemical_.AA.aa_thr
|
|
aa_trp = rosetta.core.chemical._core_chemical_.AA.aa_trp
|
|
aa_tyr = rosetta.core.chemical._core_chemical_.AA.aa_tyr
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|
aa_unk = rosetta.core.chemical._core_chemical_.AA.aa_unk
|
|
aa_unp = rosetta.core.chemical._core_chemical_.AA.aa_unp
|
|
aa_val = rosetta.core.chemical._core_chemical_.AA.aa_val
|
|
aa_vrt = rosetta.core.chemical._core_chemical_.AA.aa_vrt
|
|
first_DNA_aa = rosetta.core.chemical._core_chemical_.AA.first_...
|
|
first_D_aa = rosetta.core.chemical._core_chemical_.AA.first_D_aa
|
|
first_beta3_aa = rosetta.core.chemical._core_chemical_.AA.firs...
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|
last_DNA_aa = rosetta.core.chemical._core_chemical_.AA.last_DN...
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|
last_D_aa = rosetta.core.chemical._core_chemical_.AA.last_D_aa
|
|
last_beta3_aa = rosetta.core.chemical._core_chemical_.AA.last_...
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|
na_ade = rosetta.core.chemical._core_chemical_.AA.na_ade
|
|
na_cyt = rosetta.core.chemical._core_chemical_.AA.na_cyt
|
|
na_gua = rosetta.core.chemical._core_chemical_.AA.na_gua
|
|
na_rad = rosetta.core.chemical._core_chemical_.AA.na_rad
|
|
na_rcy = rosetta.core.chemical._core_chemical_.AA.na_rcy
|
|
na_rgu = rosetta.core.chemical._core_chemical_.AA.na_rgu
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|
na_thy = rosetta.core.chemical._core_chemical_.AA.na_thy
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|
na_ura = rosetta.core.chemical._core_chemical_.AA.na_ura
|
|
num_aa_types = rosetta.core.chemical._core_chemical_.AA.num_aa...
|
|
num_canonical_aas = rosetta.core.chemical._core_chemical_.AA.n...
|
|
q = rosetta.core.chemical._core_chemical_.CPParameter.q
|