SlideShare a Scribd company logo
1 of 30
ValidatorDB 
First Time User Guide
PDB-wide validation statistics: reports about 
incomplete structures, incorrect chirality and 
chemical modifications. 
2
PDB-wide validation statistics: reports about 
incomplete structures, incorrect chirality and 
chemical modifications. 
Would you like to see more details about validated molecules? 
Click here. 
3
Details by Molecule: Table summarizing validation results 
for individual ligands and non-standard residues 
4
Details by Molecule: Table summarizing validation results 
for individual ligands and non-standard residues 
Hover the mouse over the name of a category to see its description. 
5
6 
Details by Molecule: Table summarizing validation results 
for individual ligands and non-standard residues 
Sort the table according to the results from the selected category.
Details by Molecule: Table summarizing validation results 
for individual ligands and non-standard residues 
Add columns with additional categories of results. 
7
Details by Molecule: Table summarizing validation results 
for individual ligands and non-standard residues 
See results in percent's. 
8
Details by Molecule: Table summarizing validation results 
for individual ligands and non-standard residues 
Filter residues. 
9
Details by Molecule: Table summarizing validation results 
for individual ligands and non-standard residues 
See validation results for a selected residue. 
10
Molecule - MAN, Overview: Statistics of validation 
results for all MAN ligands in the PDB 
11
Molecule - MAN, Overview: Statistics of validation 
results for all MAN ligands in the PDB 
See summary of results. 
12
Molecule - MAN, Summary: Statistics of validation 
results for all MAN molecules in the PDB 
13
Molecule - MAN, Overview: Statistics of validation 
results for all MAN ligands in the PDB 
See detailed results. 
14
Molecule - MAN, Details: Detailed validation results 
for all MAN molecules in the PDB 
15
Molecule - MAN, Details: Detailed validation results 
for all MAN molecules in the PDB 
Select a subset of results. 
16
Molecule - MAN, Details: Detailed validation results 
for all MAN molecules in the PDB 
See results for a single instance of the residue. 
17
1E4M_16_4280 (MAN): Details about an individual 
molecule 
18
1E4M_16_4280 (MAN): Details about an individual 
molecule 
19 
Select the visualization mode you prefer
1E4M_16_4280 (MAN): Details about an individual 
molecule 
See superimposition of the validated and model molecule. 
20
Details by Molecule: Table summarizing validation results 
for individual ligands and non-standard residues 
See validation results for all ligands and non-standard residues in each 
PDB entry. 21
Details by PDB Entry: Table summarizing validation 
results for individual PDB entries 
22
Details by PDB Entry: Table summarizing validation 
results for individual PDB entries 
The table “Details by PDB Entry” can be operated with the same as the table 
“Details by Molecule”, i.e.: Sort according to the results of different categories, add 
columns with categories, see results in %. 
23
Details by PDB Entry: Table summarizing validation 
results for individual PDB entries 
See validation results for a selected PDB Entry. 
24
PDB Entry – 3D12: Statistics of validation results for 
PDB entry 3D12 
The validation results for the ligands and non-standard residues in PDB entry 
3D12 are organized in a similar manner as for the previously discussed MAN 
molecule: summary of the validation report and detailed results. 
25
Details by PDB Entry: Table summarizing validation 
results for individual PDB entries 
If you are looking for a specific molecule or a PDB entry you might want to try Search. 
26
27 
Search: Select criterion for obtaining a validation 
report of specific entries or molecules
28 
Search: Select criterion for obtaining a validation 
report of specific entries or molecules 
See examples of molecules and PDB entries, which exhibit errors either very 
commonly or very rarely. Detailed instructions about using the Search are also 
available.
29 
Samples: Examples of molecules and PDB entries, 
which exhibit errors either very commonly or very 
rarely.
30 
Samples: Examples of molecules and PDB entries, 
which exhibit errors either very commonly or very 
rarely. 
See Step-by-step tutorials on how to use the ValidatorDB search functions.

More Related Content

Similar to ValidatorDB: First Time User Guide

Analytical methods: key considerations to efficiently bring ADCs to the market
Analytical methods: key considerations to efficiently bring ADCs to the marketAnalytical methods: key considerations to efficiently bring ADCs to the market
Analytical methods: key considerations to efficiently bring ADCs to the marketQuality Assistance s.a.
 
Mapping metabolites against pathway databases
Mapping metabolites against pathway databases Mapping metabolites against pathway databases
Mapping metabolites against pathway databases Dinesh Barupal
 
Metabolite Set Enrichment Analysis (ChemRICH)
Metabolite Set Enrichment Analysis (ChemRICH)Metabolite Set Enrichment Analysis (ChemRICH)
Metabolite Set Enrichment Analysis (ChemRICH)Dinesh Barupal
 
Multiple Linear Regression: a powerful statistical tool to understand and imp...
Multiple Linear Regression: a powerful statistical tool to understand and imp...Multiple Linear Regression: a powerful statistical tool to understand and imp...
Multiple Linear Regression: a powerful statistical tool to understand and imp...Monica Mazzoni
 
All for one, one for all - The Chinese BMV guidance in perspective to other g...
All for one, one for all - The Chinese BMV guidance in perspective to other g...All for one, one for all - The Chinese BMV guidance in perspective to other g...
All for one, one for all - The Chinese BMV guidance in perspective to other g...Peter van Amsterdam
 
Sorting bioactive wheat from database chaff
Sorting bioactive wheat from database chaffSorting bioactive wheat from database chaff
Sorting bioactive wheat from database chaffChris Southan
 
Sorting bioactive wheat from database chaff: Challenges of discerning correct...
Sorting bioactive wheat from database chaff: Challenges of discerning correct...Sorting bioactive wheat from database chaff: Challenges of discerning correct...
Sorting bioactive wheat from database chaff: Challenges of discerning correct...Guide to PHARMACOLOGY
 
Global Regulatory Issues: one BA method, one validation, one report ...
Global Regulatory Issues: one BA method, one validation, one report ...Global Regulatory Issues: one BA method, one validation, one report ...
Global Regulatory Issues: one BA method, one validation, one report ...Peter van Amsterdam
 
Structure identification using high resolution mass spectrometry data and the...
Structure identification using high resolution mass spectrometry data and the...Structure identification using high resolution mass spectrometry data and the...
Structure identification using high resolution mass spectrometry data and the...Andrew McEachran
 

Similar to ValidatorDB: First Time User Guide (9)

Analytical methods: key considerations to efficiently bring ADCs to the market
Analytical methods: key considerations to efficiently bring ADCs to the marketAnalytical methods: key considerations to efficiently bring ADCs to the market
Analytical methods: key considerations to efficiently bring ADCs to the market
 
Mapping metabolites against pathway databases
Mapping metabolites against pathway databases Mapping metabolites against pathway databases
Mapping metabolites against pathway databases
 
Metabolite Set Enrichment Analysis (ChemRICH)
Metabolite Set Enrichment Analysis (ChemRICH)Metabolite Set Enrichment Analysis (ChemRICH)
Metabolite Set Enrichment Analysis (ChemRICH)
 
Multiple Linear Regression: a powerful statistical tool to understand and imp...
Multiple Linear Regression: a powerful statistical tool to understand and imp...Multiple Linear Regression: a powerful statistical tool to understand and imp...
Multiple Linear Regression: a powerful statistical tool to understand and imp...
 
All for one, one for all - The Chinese BMV guidance in perspective to other g...
All for one, one for all - The Chinese BMV guidance in perspective to other g...All for one, one for all - The Chinese BMV guidance in perspective to other g...
All for one, one for all - The Chinese BMV guidance in perspective to other g...
 
Sorting bioactive wheat from database chaff
Sorting bioactive wheat from database chaffSorting bioactive wheat from database chaff
Sorting bioactive wheat from database chaff
 
Sorting bioactive wheat from database chaff: Challenges of discerning correct...
Sorting bioactive wheat from database chaff: Challenges of discerning correct...Sorting bioactive wheat from database chaff: Challenges of discerning correct...
Sorting bioactive wheat from database chaff: Challenges of discerning correct...
 
Global Regulatory Issues: one BA method, one validation, one report ...
Global Regulatory Issues: one BA method, one validation, one report ...Global Regulatory Issues: one BA method, one validation, one report ...
Global Regulatory Issues: one BA method, one validation, one report ...
 
Structure identification using high resolution mass spectrometry data and the...
Structure identification using high resolution mass spectrometry data and the...Structure identification using high resolution mass spectrometry data and the...
Structure identification using high resolution mass spectrometry data and the...
 

More from Lukáš Pravda

Real-time interactive visualisation of large macromolecular assemblies and mo...
Real-time interactive visualisation of large macromolecular assemblies and mo...Real-time interactive visualisation of large macromolecular assemblies and mo...
Real-time interactive visualisation of large macromolecular assemblies and mo...Lukáš Pravda
 
Search by PDB Entry and Molecule Annotation
Search by PDB Entry and Molecule AnnotationSearch by PDB Entry and Molecule Annotation
Search by PDB Entry and Molecule AnnotationLukáš Pravda
 
ValidatorDB: Search by Molecule Annotation
ValidatorDB: Search by Molecule AnnotationValidatorDB: Search by Molecule Annotation
ValidatorDB: Search by Molecule AnnotationLukáš Pravda
 
ValidatorDB: Search by Molecule Identifier
ValidatorDB: Search by Molecule IdentifierValidatorDB: Search by Molecule Identifier
ValidatorDB: Search by Molecule IdentifierLukáš Pravda
 
ValidatorDB: Search by PDB
ValidatorDB: Search by PDBValidatorDB: Search by PDB
ValidatorDB: Search by PDBLukáš Pravda
 

More from Lukáš Pravda (6)

Real-time interactive visualisation of large macromolecular assemblies and mo...
Real-time interactive visualisation of large macromolecular assemblies and mo...Real-time interactive visualisation of large macromolecular assemblies and mo...
Real-time interactive visualisation of large macromolecular assemblies and mo...
 
ACC: First Time Guide
ACC: First Time GuideACC: First Time Guide
ACC: First Time Guide
 
Search by PDB Entry and Molecule Annotation
Search by PDB Entry and Molecule AnnotationSearch by PDB Entry and Molecule Annotation
Search by PDB Entry and Molecule Annotation
 
ValidatorDB: Search by Molecule Annotation
ValidatorDB: Search by Molecule AnnotationValidatorDB: Search by Molecule Annotation
ValidatorDB: Search by Molecule Annotation
 
ValidatorDB: Search by Molecule Identifier
ValidatorDB: Search by Molecule IdentifierValidatorDB: Search by Molecule Identifier
ValidatorDB: Search by Molecule Identifier
 
ValidatorDB: Search by PDB
ValidatorDB: Search by PDBValidatorDB: Search by PDB
ValidatorDB: Search by PDB
 

Recently uploaded

Isotopic evidence of long-lived volcanism on Io
Isotopic evidence of long-lived volcanism on IoIsotopic evidence of long-lived volcanism on Io
Isotopic evidence of long-lived volcanism on IoSérgio Sacani
 
Zoology 4th semester series (krishna).pdf
Zoology 4th semester series (krishna).pdfZoology 4th semester series (krishna).pdf
Zoology 4th semester series (krishna).pdfSumit Kumar yadav
 
Formation of low mass protostars and their circumstellar disks
Formation of low mass protostars and their circumstellar disksFormation of low mass protostars and their circumstellar disks
Formation of low mass protostars and their circumstellar disksSérgio Sacani
 
Discovery of an Accretion Streamer and a Slow Wide-angle Outflow around FUOri...
Discovery of an Accretion Streamer and a Slow Wide-angle Outflow around FUOri...Discovery of an Accretion Streamer and a Slow Wide-angle Outflow around FUOri...
Discovery of an Accretion Streamer and a Slow Wide-angle Outflow around FUOri...Sérgio Sacani
 
Botany 4th semester series (krishna).pdf
Botany 4th semester series (krishna).pdfBotany 4th semester series (krishna).pdf
Botany 4th semester series (krishna).pdfSumit Kumar yadav
 
Spermiogenesis or Spermateleosis or metamorphosis of spermatid
Spermiogenesis or Spermateleosis or metamorphosis of spermatidSpermiogenesis or Spermateleosis or metamorphosis of spermatid
Spermiogenesis or Spermateleosis or metamorphosis of spermatidSarthak Sekhar Mondal
 
Recombinant DNA technology (Immunological screening)
Recombinant DNA technology (Immunological screening)Recombinant DNA technology (Immunological screening)
Recombinant DNA technology (Immunological screening)PraveenaKalaiselvan1
 
Unlocking the Potential: Deep dive into ocean of Ceramic Magnets.pptx
Unlocking  the Potential: Deep dive into ocean of Ceramic Magnets.pptxUnlocking  the Potential: Deep dive into ocean of Ceramic Magnets.pptx
Unlocking the Potential: Deep dive into ocean of Ceramic Magnets.pptxanandsmhk
 
Nightside clouds and disequilibrium chemistry on the hot Jupiter WASP-43b
Nightside clouds and disequilibrium chemistry on the hot Jupiter WASP-43bNightside clouds and disequilibrium chemistry on the hot Jupiter WASP-43b
Nightside clouds and disequilibrium chemistry on the hot Jupiter WASP-43bSérgio Sacani
 
Broad bean, Lima Bean, Jack bean, Ullucus.pptx
Broad bean, Lima Bean, Jack bean, Ullucus.pptxBroad bean, Lima Bean, Jack bean, Ullucus.pptx
Broad bean, Lima Bean, Jack bean, Ullucus.pptxjana861314
 
Nanoparticles synthesis and characterization​ ​
Nanoparticles synthesis and characterization​  ​Nanoparticles synthesis and characterization​  ​
Nanoparticles synthesis and characterization​ ​kaibalyasahoo82800
 
Raman spectroscopy.pptx M Pharm, M Sc, Advanced Spectral Analysis
Raman spectroscopy.pptx M Pharm, M Sc, Advanced Spectral AnalysisRaman spectroscopy.pptx M Pharm, M Sc, Advanced Spectral Analysis
Raman spectroscopy.pptx M Pharm, M Sc, Advanced Spectral AnalysisDiwakar Mishra
 
Cultivation of KODO MILLET . made by Ghanshyam pptx
Cultivation of KODO MILLET . made by Ghanshyam pptxCultivation of KODO MILLET . made by Ghanshyam pptx
Cultivation of KODO MILLET . made by Ghanshyam pptxpradhanghanshyam7136
 
Biopesticide (2).pptx .This slides helps to know the different types of biop...
Biopesticide (2).pptx  .This slides helps to know the different types of biop...Biopesticide (2).pptx  .This slides helps to know the different types of biop...
Biopesticide (2).pptx .This slides helps to know the different types of biop...RohitNehra6
 
Botany 4th semester file By Sumit Kumar yadav.pdf
Botany 4th semester file By Sumit Kumar yadav.pdfBotany 4th semester file By Sumit Kumar yadav.pdf
Botany 4th semester file By Sumit Kumar yadav.pdfSumit Kumar yadav
 
Biological Classification BioHack (3).pdf
Biological Classification BioHack (3).pdfBiological Classification BioHack (3).pdf
Biological Classification BioHack (3).pdfmuntazimhurra
 
Stunning ➥8448380779▻ Call Girls In Panchshil Enclave Delhi NCR
Stunning ➥8448380779▻ Call Girls In Panchshil Enclave Delhi NCRStunning ➥8448380779▻ Call Girls In Panchshil Enclave Delhi NCR
Stunning ➥8448380779▻ Call Girls In Panchshil Enclave Delhi NCRDelhi Call girls
 
Botany krishna series 2nd semester Only Mcq type questions
Botany krishna series 2nd semester Only Mcq type questionsBotany krishna series 2nd semester Only Mcq type questions
Botany krishna series 2nd semester Only Mcq type questionsSumit Kumar yadav
 

Recently uploaded (20)

Isotopic evidence of long-lived volcanism on Io
Isotopic evidence of long-lived volcanism on IoIsotopic evidence of long-lived volcanism on Io
Isotopic evidence of long-lived volcanism on Io
 
Zoology 4th semester series (krishna).pdf
Zoology 4th semester series (krishna).pdfZoology 4th semester series (krishna).pdf
Zoology 4th semester series (krishna).pdf
 
Formation of low mass protostars and their circumstellar disks
Formation of low mass protostars and their circumstellar disksFormation of low mass protostars and their circumstellar disks
Formation of low mass protostars and their circumstellar disks
 
CELL -Structural and Functional unit of life.pdf
CELL -Structural and Functional unit of life.pdfCELL -Structural and Functional unit of life.pdf
CELL -Structural and Functional unit of life.pdf
 
Discovery of an Accretion Streamer and a Slow Wide-angle Outflow around FUOri...
Discovery of an Accretion Streamer and a Slow Wide-angle Outflow around FUOri...Discovery of an Accretion Streamer and a Slow Wide-angle Outflow around FUOri...
Discovery of an Accretion Streamer and a Slow Wide-angle Outflow around FUOri...
 
Botany 4th semester series (krishna).pdf
Botany 4th semester series (krishna).pdfBotany 4th semester series (krishna).pdf
Botany 4th semester series (krishna).pdf
 
Spermiogenesis or Spermateleosis or metamorphosis of spermatid
Spermiogenesis or Spermateleosis or metamorphosis of spermatidSpermiogenesis or Spermateleosis or metamorphosis of spermatid
Spermiogenesis or Spermateleosis or metamorphosis of spermatid
 
Recombinant DNA technology (Immunological screening)
Recombinant DNA technology (Immunological screening)Recombinant DNA technology (Immunological screening)
Recombinant DNA technology (Immunological screening)
 
Unlocking the Potential: Deep dive into ocean of Ceramic Magnets.pptx
Unlocking  the Potential: Deep dive into ocean of Ceramic Magnets.pptxUnlocking  the Potential: Deep dive into ocean of Ceramic Magnets.pptx
Unlocking the Potential: Deep dive into ocean of Ceramic Magnets.pptx
 
Nightside clouds and disequilibrium chemistry on the hot Jupiter WASP-43b
Nightside clouds and disequilibrium chemistry on the hot Jupiter WASP-43bNightside clouds and disequilibrium chemistry on the hot Jupiter WASP-43b
Nightside clouds and disequilibrium chemistry on the hot Jupiter WASP-43b
 
Broad bean, Lima Bean, Jack bean, Ullucus.pptx
Broad bean, Lima Bean, Jack bean, Ullucus.pptxBroad bean, Lima Bean, Jack bean, Ullucus.pptx
Broad bean, Lima Bean, Jack bean, Ullucus.pptx
 
Nanoparticles synthesis and characterization​ ​
Nanoparticles synthesis and characterization​  ​Nanoparticles synthesis and characterization​  ​
Nanoparticles synthesis and characterization​ ​
 
Raman spectroscopy.pptx M Pharm, M Sc, Advanced Spectral Analysis
Raman spectroscopy.pptx M Pharm, M Sc, Advanced Spectral AnalysisRaman spectroscopy.pptx M Pharm, M Sc, Advanced Spectral Analysis
Raman spectroscopy.pptx M Pharm, M Sc, Advanced Spectral Analysis
 
Cultivation of KODO MILLET . made by Ghanshyam pptx
Cultivation of KODO MILLET . made by Ghanshyam pptxCultivation of KODO MILLET . made by Ghanshyam pptx
Cultivation of KODO MILLET . made by Ghanshyam pptx
 
Biopesticide (2).pptx .This slides helps to know the different types of biop...
Biopesticide (2).pptx  .This slides helps to know the different types of biop...Biopesticide (2).pptx  .This slides helps to know the different types of biop...
Biopesticide (2).pptx .This slides helps to know the different types of biop...
 
Botany 4th semester file By Sumit Kumar yadav.pdf
Botany 4th semester file By Sumit Kumar yadav.pdfBotany 4th semester file By Sumit Kumar yadav.pdf
Botany 4th semester file By Sumit Kumar yadav.pdf
 
Biological Classification BioHack (3).pdf
Biological Classification BioHack (3).pdfBiological Classification BioHack (3).pdf
Biological Classification BioHack (3).pdf
 
Stunning ➥8448380779▻ Call Girls In Panchshil Enclave Delhi NCR
Stunning ➥8448380779▻ Call Girls In Panchshil Enclave Delhi NCRStunning ➥8448380779▻ Call Girls In Panchshil Enclave Delhi NCR
Stunning ➥8448380779▻ Call Girls In Panchshil Enclave Delhi NCR
 
9953056974 Young Call Girls In Mahavir enclave Indian Quality Escort service
9953056974 Young Call Girls In Mahavir enclave Indian Quality Escort service9953056974 Young Call Girls In Mahavir enclave Indian Quality Escort service
9953056974 Young Call Girls In Mahavir enclave Indian Quality Escort service
 
Botany krishna series 2nd semester Only Mcq type questions
Botany krishna series 2nd semester Only Mcq type questionsBotany krishna series 2nd semester Only Mcq type questions
Botany krishna series 2nd semester Only Mcq type questions
 

ValidatorDB: First Time User Guide

  • 2. PDB-wide validation statistics: reports about incomplete structures, incorrect chirality and chemical modifications. 2
  • 3. PDB-wide validation statistics: reports about incomplete structures, incorrect chirality and chemical modifications. Would you like to see more details about validated molecules? Click here. 3
  • 4. Details by Molecule: Table summarizing validation results for individual ligands and non-standard residues 4
  • 5. Details by Molecule: Table summarizing validation results for individual ligands and non-standard residues Hover the mouse over the name of a category to see its description. 5
  • 6. 6 Details by Molecule: Table summarizing validation results for individual ligands and non-standard residues Sort the table according to the results from the selected category.
  • 7. Details by Molecule: Table summarizing validation results for individual ligands and non-standard residues Add columns with additional categories of results. 7
  • 8. Details by Molecule: Table summarizing validation results for individual ligands and non-standard residues See results in percent's. 8
  • 9. Details by Molecule: Table summarizing validation results for individual ligands and non-standard residues Filter residues. 9
  • 10. Details by Molecule: Table summarizing validation results for individual ligands and non-standard residues See validation results for a selected residue. 10
  • 11. Molecule - MAN, Overview: Statistics of validation results for all MAN ligands in the PDB 11
  • 12. Molecule - MAN, Overview: Statistics of validation results for all MAN ligands in the PDB See summary of results. 12
  • 13. Molecule - MAN, Summary: Statistics of validation results for all MAN molecules in the PDB 13
  • 14. Molecule - MAN, Overview: Statistics of validation results for all MAN ligands in the PDB See detailed results. 14
  • 15. Molecule - MAN, Details: Detailed validation results for all MAN molecules in the PDB 15
  • 16. Molecule - MAN, Details: Detailed validation results for all MAN molecules in the PDB Select a subset of results. 16
  • 17. Molecule - MAN, Details: Detailed validation results for all MAN molecules in the PDB See results for a single instance of the residue. 17
  • 18. 1E4M_16_4280 (MAN): Details about an individual molecule 18
  • 19. 1E4M_16_4280 (MAN): Details about an individual molecule 19 Select the visualization mode you prefer
  • 20. 1E4M_16_4280 (MAN): Details about an individual molecule See superimposition of the validated and model molecule. 20
  • 21. Details by Molecule: Table summarizing validation results for individual ligands and non-standard residues See validation results for all ligands and non-standard residues in each PDB entry. 21
  • 22. Details by PDB Entry: Table summarizing validation results for individual PDB entries 22
  • 23. Details by PDB Entry: Table summarizing validation results for individual PDB entries The table “Details by PDB Entry” can be operated with the same as the table “Details by Molecule”, i.e.: Sort according to the results of different categories, add columns with categories, see results in %. 23
  • 24. Details by PDB Entry: Table summarizing validation results for individual PDB entries See validation results for a selected PDB Entry. 24
  • 25. PDB Entry – 3D12: Statistics of validation results for PDB entry 3D12 The validation results for the ligands and non-standard residues in PDB entry 3D12 are organized in a similar manner as for the previously discussed MAN molecule: summary of the validation report and detailed results. 25
  • 26. Details by PDB Entry: Table summarizing validation results for individual PDB entries If you are looking for a specific molecule or a PDB entry you might want to try Search. 26
  • 27. 27 Search: Select criterion for obtaining a validation report of specific entries or molecules
  • 28. 28 Search: Select criterion for obtaining a validation report of specific entries or molecules See examples of molecules and PDB entries, which exhibit errors either very commonly or very rarely. Detailed instructions about using the Search are also available.
  • 29. 29 Samples: Examples of molecules and PDB entries, which exhibit errors either very commonly or very rarely.
  • 30. 30 Samples: Examples of molecules and PDB entries, which exhibit errors either very commonly or very rarely. See Step-by-step tutorials on how to use the ValidatorDB search functions.