v0.3.11

Web application to run haddock3 Docking software.

What's Changed

• Make containerslurm deployment enable submitter_as_account by @sverhoeven in #164
• Demonstration of webapp by @sverhoeven in #155
• When downloading zip files use nice filenames by @sverhoeven in #169

Full Changelog: v0.3.10...v0.3.11

v0.3.10

Web application to run haddock3 Docking software.

What's Changed

• Fix deploy/containerslurm/Dockerfile by @sverhoeven in #163
• Openmm82 numpy2 by @sverhoeven in #167
• Build haddock3-webapp-portal image by @sverhoeven in #168

Full Changelog: v0.3.9...v0.3.10

v0.3.9

Web application to run haddock3 Docking software.

What's Changed

• Misc by @sverhoeven in #158
• Latest wb core + pin bartender by @sverhoeven in #160
• Add sasascore module by @sverhoeven in #161

Full Changelog: v0.3.8...v0.3.9

v0.3.8

Web application to run haddock3 Docking software.

What's Changed

• Make plotly menubar render ok by @sverhoeven in #157
• Gdock no longer part of Docker images due to unreachable install dependencies

Full Changelog: v0.3.7...v0.3.8

v0.3.7

Web application to run haddock3 Docking software.

What's Changed

• Add openmm module to catalog and docker image by @sverhoeven in #156
• Make cns in linux/arm64 images work

Full Changelog: v0.3.6...v0.3.7

v0.3.6

Web application to run haddock3 Docking software.

What's Changed

• Corrected Docker image build form linux/arm64

Full Changelog: v0.3.5...v0.3.6

v0.3.5

Web application to run haddock3 Docking software.

What's Changed

• Make run_dir optional when uploading in the builder by @sverhoeven in #112
• Use latest workflow builder packages and catalogs by @sverhoeven in #137
• Do not add water or ion residues to residue select component by @sverhoeven in #145
• Use table components from haddock3-ui by @sverhoeven in #149
• For protein docking scenario remove all non coord lines. by @sverhoeven in #147
• Allow easy expertise level to run protein ligand scenario by @sverhoeven in #150
• Run portal mode with docker compose by @sverhoeven in #144
• Ensembl loadable by @sverhoeven in #151
• Update catalog + use debug = false instead of less_io = true by @sverhoeven in #153
• Scoring scenario + refinement scenario + alascan page by @sverhoeven in #140
• Use haddock3 install which comes with cns executable by @sverhoeven in #154

Full Changelog: v0.3.4...v0.3.5

v0.3.4

Web application to run haddock3 Docking software.

What's Changed

• Use haddock3 UI package by @sverhoeven in #133
• Protein glycan scenario by @sverhoeven in #130
• Save unfinished workflow for later use by @dmijatovic in #131
• Move scenarios page before build page by @sverhoeven in #135

Full Changelog: v0.3.3...v0.3.4

v0.3.3

Web application to run haddock3 Docking software.

What's Changed

• reload job status every 5 sec. and show monitoring message by @dmijatovic in #110
• Filter jobs by name by @dmijatovic in #118
• Scenario ligand + scenario dna/rna by @sverhoeven in #120
• GitHub auth by @dmijatovic in #122

Full Changelog: v0.3.2...v0.3.3

v0.3.2

Web application to run haddock3 Docking software.

What's Changed

• Smaller Docker images by @sverhoeven in #117

Full Changelog: v0.3.1...v0.3.2