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Monday 14 April
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9:00-9:30
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Kim Henrick
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Practicalities:
EBI facilities, practical issues with validation software
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9:30-9:45
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Randy Read
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Review of
goals: validation criteria, presentation of results, report to PDB,
publication of conclusions
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9:45-10:00
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Discussion
of goals, composition of groups
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10:00-10:15
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Eugene Krissinel
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Validation
of crystal packing interactions
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10:15-10:30
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Will Sheffler
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Validation
by Rosetta packing analysis
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10:30-11:00
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coffee
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11:00-11:15
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Jane
Richardson
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Molprobity clashscore
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11:15-11:45
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Discussion:
modern tools for packing analysis
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11:45-12:30
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Computing
workshop and discussion in groups
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12:30-14:00
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lunch
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14:00-15:30
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Computing
workshop and discussion in groups
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15:30-16:00
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tea
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16:00-16:15
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Zbyszek Otwinowski
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Statistical
properties of coordinate files (e.g.
B-factors)
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16:15-16:30
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Tassos Perrakis
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Statistical
properties of structure factor files
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16:30-16:45
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Paul Adams
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Structure
factor validation in phenix.xtriage
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16:45-17:00
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Randy Read
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Validating
structure factor distributions
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17:00-17:30
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Discussion:
new statistical measures for validation
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Tuesday 15 April
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9:00-9:15
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Gerard Kleywegt
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Integrating
EDS into PDB validation
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9:15-9:30
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Paul Emsley
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Displaying
local validation results in coot
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9:30-9:45
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Discussion: how
to present local validation results
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9:45-10:00
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Jane
Richardson
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Lead
discussion on procedures for incorporating new validation measures
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10:00-10:15
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Axel Brunger
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Special
demands of validation at low resolution
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10:15-10:45
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coffee
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10:45-12:30
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Computing
workshop and discussion in groups
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12:30-14:00
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lunch
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14:00-14:15
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Thomas Lutteke
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Carbohydrate
validation
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14:15-14:30
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Gerard Kleywegt
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HicUp and ValLigURL
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14:30-14:45
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Discussion:
issues of non-protein components
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14:45-15:00
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Robbie Joosten
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Re-refinement
as a validation tool
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15:00-15:15
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Paul Adams
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Bulk solvent
and other features of re-refinement
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15:15-15:30
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Discussion:
should re-refinement be part of PDB validation, on deposition and thereafter?
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15:30-16:00
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tea
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16:00-17:30
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Computing workshop
and discussion in groups
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