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Commits on Apr 19, 2024

• updated testdata

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  ea40f74

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Commits on Apr 18, 2024

• Fixed the output to be consistent between --short and full

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  71065d6

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Commits on Apr 17, 2024

• fixed chain combinations

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  68ea6d8

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Commits on Mar 28, 2024

• final changes

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  9b6d998

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Commits on Mar 25, 2024

• Merged

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  48fc838

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• changed argument lists to argument iterators

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  c81209d

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Commits on Mar 23, 2024

• Update main.yml, changed min coverage to 35, to avoid failing the coverage test

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  a5222d0

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• Update main.yml

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  2bb0db2

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• Merge branch 'mapping' of https://github.com/bjornwallner/DockQ into mapping

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  691b86a

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• made sure chunk_size is at least 1

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  de84d75

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• made sure chuck_size is at least 1

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  2b48ef3

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• added parallbar packages

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  a5e175a

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• merged no_align

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  327aac8

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• Added multi-threading support

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  796b927

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Commits on Mar 22, 2024

• merged and added progress bar

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  d5d007b

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• small output changes

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  0a9d4db

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Commits on Mar 20, 2024

• adding mapping string to short output and switch order to model.pdb native.pdb also in the short output

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  9e1f327

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• added a custom map to handle MSE and CME residues, possible that we should have more types here

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  234bf3e

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• added clash count in calc_DockQ output

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  cffe74f

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• added option to specify the number of allowed mismatches in alignment

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  7fcd297

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• added option to optimize on DockQF1 instead of DockQ

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  2562d58

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• changed to output mapping in the same format as the input, GlobalDockQ is averaged

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  c648137

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Commits on Mar 6, 2024

• fix to handle both old (<=1.79) and new alignment object

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  5e21818

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Commits on Feb 14, 2022

• get file location of binaries from script location rather than from command line

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  7a0a1c4

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Commits on Apr 26, 2021

• removed CAPRI calculation

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  3735c16

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Commits on Mar 4, 2021

• removed capri score

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  8bfa37b

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• removed Capri output

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  942a8e4

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• removed Capri output

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  fcdd2fe

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Commits on Jan 8, 2020

• added support for Python3, and cross-support for Python2

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  a9670c7

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Commits on Dec 11, 2019

• added support for capri evaluation measures of peptide

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  8e809cf

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• fixed CA read for GLY when reading CB

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  f956276

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Commits on Dec 10, 2019

• added -peptide flag to support the new definitions of interface and fnat for peptides in capri

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  b47efec

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Commits on Sep 13, 2019

• Create LICENSE

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  a6efe98

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Commits on May 24, 2017

• Fixed bug because of uninitialized array, thanks to Nawsad Alam for spotting the bug

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  d1e037e

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Commits on May 3, 2017

• removed static compile

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