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upgrade needed to work with MDAnalysis 0.11.0? #43

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orbeckst opened this issue Sep 7, 2015 · 3 comments
Closed

upgrade needed to work with MDAnalysis 0.11.0? #43

orbeckst opened this issue Sep 7, 2015 · 3 comments
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dependency priority medium
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0.6.0

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@orbeckst
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orbeckst commented Sep 7, 2015

The new MDAnalysis release 0.11.0 breaks parts of the API and it is possible that MDSynthesis needs to be migrated and pinned to MDAnalysis >= 0.11.0.
@dotsdl
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dotsdl commented Sep 7, 2015

Yup, good call. The next release will require 0.11.0, but at the moment nothing should break since the only API elements used are atom selections via AtomGroup.selectAtoms (which is deprecated, but still fucntional).

@dotsdl dotsdl added this to the 0.5.1 milestone Sep 7, 2015
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dotsdl commented Sep 9, 2015

It turns out that with the way MDS applies stored resnums to a Universe's atoms the current behavior of MDAnalysis breaks this mechanism. This is fixed in MDAnalysis/mdanalysis#422.

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dotsdl commented Sep 9, 2015

Fixed.

@dotsdl dotsdl closed this as completed Sep 9, 2015
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