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Protein dna docking tutorial with haddock3 #681

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cabf100
intro to protein-DNA-basic
AnnaKravchenko Aug 6, 2024
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up to analysis. revised up to docking with Haddock3
AnnaKravchenko Aug 7, 2024
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done, minus list of todos at the end
AnnaKravchenko Aug 14, 2024
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finished protein-dna-basic-haddock3
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Victor’s comments, round 2
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Update index.md according to the models obtained with functional C2
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AnnaKravchenko Sep 23, 2024
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145 changes: 145 additions & 0 deletions Gemfile.lock
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GEM
remote: https://rubygems.org/
specs:
addressable (2.8.7)
public_suffix (>= 2.0.2, < 7.0)
colorator (1.1.0)
concurrent-ruby (1.3.4)
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eventmachine (>= 0.12.9)
http_parser.rb (~> 0)
eventmachine (1.2.7)
ffi (1.17.0)
ffi (1.17.0-aarch64-linux-gnu)
ffi (1.17.0-aarch64-linux-musl)
ffi (1.17.0-arm-linux-gnu)
ffi (1.17.0-arm-linux-musl)
ffi (1.17.0-arm64-darwin)
ffi (1.17.0-x86-linux-gnu)
ffi (1.17.0-x86-linux-musl)
ffi (1.17.0-x86_64-darwin)
ffi (1.17.0-x86_64-linux-gnu)
ffi (1.17.0-x86_64-linux-musl)
forwardable-extended (2.6.0)
google-protobuf (3.25.4)
google-protobuf (3.25.4-aarch64-linux)
google-protobuf (3.25.4-arm64-darwin)
google-protobuf (3.25.4-x86-linux)
google-protobuf (3.25.4-x86_64-darwin)
google-protobuf (3.25.4-x86_64-linux)
http_parser.rb (0.8.0)
i18n (1.14.5)
concurrent-ruby (~> 1.0)
jekyll (4.3.3)
addressable (~> 2.4)
colorator (~> 1.0)
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i18n (~> 1.0)
jekyll-sass-converter (>= 2.0, < 4.0)
jekyll-watch (~> 2.0)
kramdown (~> 2.3, >= 2.3.1)
kramdown-parser-gfm (~> 1.0)
liquid (~> 4.0)
mercenary (>= 0.3.6, < 0.5)
pathutil (~> 0.9)
rouge (>= 3.0, < 5.0)
safe_yaml (~> 1.0)
terminal-table (>= 1.8, < 4.0)
webrick (~> 1.7)
jekyll-feed (0.17.0)
jekyll (>= 3.7, < 5.0)
jekyll-sass-converter (3.0.0)
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jekyll-seo-tag (2.8.0)
jekyll (>= 3.8, < 5.0)
jekyll-watch (2.2.1)
listen (~> 3.0)
kramdown (2.4.0)
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kramdown (~> 2.0)
liquid (4.0.4)
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rb-fsevent (~> 0.10, >= 0.10.3)
rb-inotify (~> 0.9, >= 0.9.10)
mercenary (0.4.0)
minima (2.5.1)
jekyll (>= 3.5, < 5.0)
jekyll-feed (~> 0.9)
jekyll-seo-tag (~> 2.1)
pathutil (0.16.2)
forwardable-extended (~> 2.6)
public_suffix (6.0.1)
rb-fsevent (0.11.2)
rb-inotify (0.11.1)
ffi (~> 1.0)
rexml (3.3.5)
strscan
rouge (4.3.0)
safe_yaml (1.0.5)
sass-embedded (1.69.5-aarch64-linux-android)
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sass-embedded (1.69.5-aarch64-linux-gnu)
google-protobuf (~> 3.23)
sass-embedded (1.69.5-aarch64-linux-musl)
google-protobuf (~> 3.23)
sass-embedded (1.69.5-arm-linux-androideabi)
google-protobuf (~> 3.23)
sass-embedded (1.69.5-arm-linux-gnueabihf)
google-protobuf (~> 3.23)
sass-embedded (1.69.5-arm-linux-musleabihf)
google-protobuf (~> 3.23)
sass-embedded (1.69.5-arm64-darwin)
google-protobuf (~> 3.23)
sass-embedded (1.69.5-x86-linux-android)
google-protobuf (~> 3.23)
sass-embedded (1.69.5-x86-linux-gnu)
google-protobuf (~> 3.23)
sass-embedded (1.69.5-x86-linux-musl)
google-protobuf (~> 3.23)
sass-embedded (1.69.5-x86_64-darwin)
google-protobuf (~> 3.23)
sass-embedded (1.69.5-x86_64-linux-android)
google-protobuf (~> 3.23)
sass-embedded (1.69.5-x86_64-linux-gnu)
google-protobuf (~> 3.23)
sass-embedded (1.69.5-x86_64-linux-musl)
google-protobuf (~> 3.23)
strscan (3.1.0)
terminal-table (3.0.2)
unicode-display_width (>= 1.1.1, < 3)
unicode-display_width (2.5.0)
webrick (1.8.1)

PLATFORMS
aarch64-linux
aarch64-linux-android
aarch64-linux-gnu
aarch64-linux-musl
arm-linux-androideabi
arm-linux-gnu
arm-linux-gnueabihf
arm-linux-musl
arm-linux-musleabihf
arm64-darwin
x86-linux
x86-linux-android
x86-linux-gnu
x86-linux-musl
x86_64-darwin
x86_64-linux
x86_64-linux-android
x86_64-linux-gnu
x86_64-linux-musl

DEPENDENCIES
http_parser.rb (~> 0.6.0)
jekyll (~> 4.3.2)
jekyll-feed (~> 0.12)
minima (~> 2.5)
tzinfo (>= 1, < 3)
tzinfo-data
wdm (~> 0.1.1)

BUNDLED WITH
2.5.17
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585 changes: 585 additions & 0 deletions education/HADDOCK3/HADDOCK3-protein-DNA-basic/index.md
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6 changes: 6 additions & 0 deletions education/HADDOCK3/index.md
Original file line number Diff line number Diff line change
Expand Up @@ -25,3 +25,9 @@ _Note that HADDOCK3 is still in heavy development and as such the software is ev
This tutorial demonstrates the use of HADDOCK3 for predicting the structure of an antibody-antigen complex using information
about the hypervariable loops of the antibody and a loose definition of the epitope determined through NMR experiments.
As HADDOCK3 only exists as a command line version, this tutorial does require some basic Linux expertise.

* [**HADDOCK3 basic protein-DNA docking tutorial**](/education/HADDOCK3/HADDOCK3-protein-DNA-basic):
This tutorial demonstrates the use of HADDOCK3 for predicting the structure of a protein-DNA complex in which two protein units
bind to the double-stranded DNA in a symmetrical manner (3CRO). Next to provided ambiguous restraints to drive the docking symmetry
restraints are defined to enforce symmetrical protein binding. As HADDOCK3 only exists as a command line version, this tutorial does
require some basic Linux expertise.
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