Class ChemComp
- java.lang.Object
-
- org.biojava.nbio.structure.io.mmcif.model.ChemComp
-
- All Implemented Interfaces:
Serializable
,Comparable<ChemComp>
public class ChemComp extends Object implements Serializable, Comparable<ChemComp>
A definition for a Chemical Component, as maintained by the wwPDB. For access to all definitions, please download the components.cif.gz file from the wwPDB website.- Author:
- Andreas Prlic
- See Also:
- Serialized Form
-
-
Constructor Summary
Constructors Constructor Description ChemComp()
-
Method Summary
-
-
-
Constructor Detail
-
ChemComp
public ChemComp()
-
-
Method Detail
-
hasParent
public boolean hasParent()
-
isStandard
public boolean isStandard()
-
getResidueType
public ResidueType getResidueType()
-
setResidueType
public void setResidueType(ResidueType residueType)
-
getPolymerType
public PolymerType getPolymerType()
-
setPolymerType
public void setPolymerType(PolymerType polymerType)
-
getPdbx_type
public String getPdbx_type()
-
setPdbx_type
public void setPdbx_type(String pdbx_type)
-
getFormula
public String getFormula()
-
setFormula
public void setFormula(String formula)
-
getMon_nstd_parent_comp_id
public String getMon_nstd_parent_comp_id()
-
setMon_nstd_parent_comp_id
public void setMon_nstd_parent_comp_id(String mon_nstd_parent_comp_id)
-
getPdbx_synonyms
public String getPdbx_synonyms()
-
setPdbx_synonyms
public void setPdbx_synonyms(String pdbx_synonyms)
-
getPdbx_formal_charge
public String getPdbx_formal_charge()
-
setPdbx_formal_charge
public void setPdbx_formal_charge(String pdbx_formal_charge)
-
getPdbx_initial_date
public String getPdbx_initial_date()
-
setPdbx_initial_date
public void setPdbx_initial_date(String pdbx_initial_date)
-
getPdbx_modified_date
public String getPdbx_modified_date()
-
setPdbx_modified_date
public void setPdbx_modified_date(String pdbx_modified_date)
-
getPdbx_ambiguous_flag
public String getPdbx_ambiguous_flag()
-
setPdbx_ambiguous_flag
public void setPdbx_ambiguous_flag(String pdbx_ambiguous_flag)
-
getPdbx_release_status
public String getPdbx_release_status()
-
setPdbx_release_status
public void setPdbx_release_status(String pdbx_release_status)
-
getPdbx_replaced_by
public String getPdbx_replaced_by()
-
setPdbx_replaced_by
public void setPdbx_replaced_by(String pdbx_replaced_by)
-
getPdbx_replaces
public String getPdbx_replaces()
-
setPdbx_replaces
public void setPdbx_replaces(String pdbx_replaces)
-
getFormula_weight
public String getFormula_weight()
-
setFormula_weight
public void setFormula_weight(String formula_weight)
-
getOne_letter_code
public String getOne_letter_code()
-
setOne_letter_code
public void setOne_letter_code(String one_letter_code)
-
getThree_letter_code
public String getThree_letter_code()
-
setThree_letter_code
public void setThree_letter_code(String three_letter_code)
-
getPdbx_model_coordinates_details
public String getPdbx_model_coordinates_details()
-
setPdbx_model_coordinates_details
public void setPdbx_model_coordinates_details(String pdbx_model_coordinates_details)
-
getPdbx_model_coordinates_missing_flag
public String getPdbx_model_coordinates_missing_flag()
-
setPdbx_model_coordinates_missing_flag
public void setPdbx_model_coordinates_missing_flag(String pdbx_model_coordinates_missing_flag)
-
getPdbx_ideal_coordinates_details
public String getPdbx_ideal_coordinates_details()
-
setPdbx_ideal_coordinates_details
public void setPdbx_ideal_coordinates_details(String pdbx_ideal_coordinates_details)
-
getPdbx_ideal_coordinates_missing_flag
public String getPdbx_ideal_coordinates_missing_flag()
-
setPdbx_ideal_coordinates_missing_flag
public void setPdbx_ideal_coordinates_missing_flag(String pdbx_ideal_coordinates_missing_flag)
-
getPdbx_model_coordinates_db_code
public String getPdbx_model_coordinates_db_code()
-
setPdbx_model_coordinates_db_code
public void setPdbx_model_coordinates_db_code(String pdbx_model_coordinates_db_code)
-
getPdbx_subcomponent_list
public String getPdbx_subcomponent_list()
-
setPdbx_subcomponent_list
public void setPdbx_subcomponent_list(String pdbx_subcomponent_list)
-
getPdbx_processing_site
public String getPdbx_processing_site()
-
setPdbx_processing_site
public void setPdbx_processing_site(String pdbx_processing_site)
-
setStandard
public void setStandard(boolean standard)
-
getMon_nstd_flag
public String getMon_nstd_flag()
-
setMon_nstd_flag
public void setMon_nstd_flag(String mon_nstd_flag)
-
getDescriptors
public List<ChemCompDescriptor> getDescriptors()
-
setDescriptors
public void setDescriptors(List<ChemCompDescriptor> descriptors)
-
getBonds
public List<ChemCompBond> getBonds()
-
setBonds
public void setBonds(List<ChemCompBond> bonds)
-
getAtoms
public List<ChemCompAtom> getAtoms()
-
setAtoms
public void setAtoms(List<ChemCompAtom> atoms)
-
compareTo
public int compareTo(ChemComp arg0)
- Specified by:
compareTo
in interfaceComparable<ChemComp>
-
getEmptyChemComp
public static ChemComp getEmptyChemComp()
Creates a new instance of the dummy empty ChemComp.- Returns:
-
isEmpty
public boolean isEmpty()
Indicates whether this compound was created with- Returns:
-
-