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ExcitedStates/qfit-3.0: v3.2.1

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 09 Sep 2020Publisher:Zenodo
Authors: Riley, Blake; Stephanie (Mullane) Wankowicz; Sauloho; Gydo Van Zundert; Bedem, Henry Van Den; Keedy, Daniel;

doi: 10.5281/zenodo.5670123 , 10.5281/zenodo.4021213

ExcitedStates/qfit-3.0: v3.2.1

Abstract

Release v3.2.1 What's Changed Update README.md for new refinement script/input by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/120 Improve flags (& --help) of qfit programs by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/122 Add --random-seed to provide option for reproducible runs by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/124 Add --rmsd-cutoff option to qFit-ligand by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/126 Update setup-miniconda GitHub Action (repairs failing CI) by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/129 Fixing CI Testing function by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/137 Changing write-intermediate-conformers argument to match qfit_protein by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/127 Add Ca option in b-factor.py script by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/131 Added cryo-EM and qFit ligand examples by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/125 Fix CI, installs failing caused by numpy API change by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/148 adding new post qfit analysis scripts by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/146 correcting line for post qFit refine cryoEM by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/152 Fixup indentation in alpha_rmsd by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/155 adding qfit_protein for scale/cryst by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/151 Move to python 3.7, 3.8 by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/156 Remove licences, update citation by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/157 Release bugfix version: 3.2.1 by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/158 Full Changelog: https://github.com/ExcitedStates/qfit-3.0/compare/v3.2.0...v3.2.1

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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