PMID- 32964594
OWN - NLM
STAT- MEDLINE
DCOM- 20210504
LR  - 20210504
IS  - 1469-896X (Electronic)
IS  - 0961-8368 (Print)
IS  - 0961-8368 (Linking)
VI  - 30
IP  - 1
DP  - 2021 Jan
TI  - Iris: Interactive all-in-one graphical validation of 3D protein model iterations.
PG  - 93-107
LID - 10.1002/pro.3955 [doi]
AB  - Iris validation is a Python package created to represent comprehensive per-residue 
      validation metrics for entire protein chains in a compact, readable and interactive 
      view. These metrics can either be calculated by Iris, or by a third-party program 
      such as MolProbity. We show that those parts of a protein model requiring attention 
      may generate ripples across the metrics on the diagram, immediately catching the 
      modeler's attention. Iris can run as a standalone tool, or be plugged into existing 
      structural biology software to display per-chain model quality at a glance, with a 
      particular emphasis on evaluating incremental changes resulting from the iterative 
      nature of model building and refinement. Finally, the integration of Iris into the 
      CCP4i2 graphical user interface is provided as a showcase of its pluggable design.
CI  - © 2020 The Authors. Protein Science published by Wiley Periodicals LLC on behalf of 
      The Protein Society.
FAU - Rochira, William
AU  - Rochira W
AUID- ORCID: 0000-0002-2009-5129
AD  - Department of Chemistry, York Structural Biology Laboratory, University of York, 
      York, UK.
FAU - Agirre, Jon
AU  - Agirre J
AUID- ORCID: 0000-0002-1086-0253
AD  - Department of Chemistry, York Structural Biology Laboratory, University of York, 
      York, UK.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
PT  - Validation Study
DEP - 20201019
TA  - Protein Sci
JT  - Protein science : a publication of the Protein Society
JID - 9211750
RN  - 0 (Proteins)
SB  - IM
MH  - *Computer Graphics
MH  - *Models, Molecular
MH  - Proteins/*chemistry
MH  - *Software
PMC - PMC7737763
OTO - NOTNLM
OT  - *Python
OT  - *graphics
OT  - *interactive
OT  - *model building
OT  - *plugin
OT  - *validation
EDAT- 2020/09/24 06:00
MHDA- 2021/05/05 06:00
CRDT- 2020/09/23 06:42
PHST- 2020/08/04 00:00 [received]
PHST- 2020/09/15 00:00 [revised]
PHST- 2020/09/15 00:00 [accepted]
PHST- 2020/09/24 06:00 [pubmed]
PHST- 2021/05/05 06:00 [medline]
PHST- 2020/09/23 06:42 [entrez]
AID - PRO3955 [pii]
AID - 10.1002/pro.3955 [doi]
PST - ppublish
SO  - Protein Sci. 2021 Jan;30(1):93-107. doi: 10.1002/pro.3955. Epub 2020 Oct 19.
