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FAQ example: creating new chain/segid identifiers #12

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orbeckst opened this issue Mar 19, 2019 · 1 comment
Open

FAQ example: creating new chain/segid identifiers #12

orbeckst opened this issue Mar 19, 2019 · 1 comment
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enhancement New feature or request FAQ help wanted Extra attention is needed

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@orbeckst
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Show how to create custom segid identifiers (so that one can write a PDB file with custom ChainIDs).

See also MDAnalysis/mdanalysis#1105 and MDAnalysis/mdanalysis#947

@orbeckst orbeckst added enhancement New feature or request help wanted Extra attention is needed labels Mar 19, 2019
@orbeckst orbeckst added the FAQ label Mar 19, 2019
@orbeckst
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@richardjgowers said:

The problem here is assigning new names won’t create new segments. Instead this should work:

newseg = U.add_Segment(segid=T’)
U.select_atoms('bynum 1201:2400').residues.segments = newseg

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Labels
enhancement New feature or request FAQ help wanted Extra attention is needed
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